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[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl][1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-yl]amine

ChemBase ID: 323570
Molecular Formular: C16H25N5O
Molecular Mass: 303.4026
Monoisotopic Mass: 303.20591045
SMILES and InChIs

SMILES:
n1(nc(cc1C)C)CC(NCc1nc(on1)C1CCCC1)C
Canonical SMILES:
CC(Cn1nc(cc1C)C)NCc1noc(n1)C1CCCC1
InChI:
InChI=1S/C16H25N5O/c1-11-8-13(3)21(19-11)10-12(2)17-9-15-18-16(22-20-15)14-6-4-5-7-14/h8,12,14,17H,4-7,9-10H2,1-3H3
InChIKey:
MHWMFBLQCRTCIJ-UHFFFAOYSA-N

Cite this record

CBID:323570 http://www.chembase.cn/molecule-323570.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl][1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-yl]amine
IUPAC Traditional name
[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl][1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amine
Synonyms
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-amine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11451791 external link Add to cart
Data Source Data ID Price
ChemBridge
11451791 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 1.4400989  LogD (pH = 7.4) 2.4083877 
Log P 2.4569247  Molar Refractivity 97.6271 cm3
Polarizability 32.584106 Å3 Polar Surface Area 68.77 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.88  LOG S -2.01 
Polar Surface Area 68.77 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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