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1060816-37-6 molecular structure
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tert-butyl N-(4-formyl-1,3-oxazol-2-yl)carbamate

ChemBase ID: 813746
Molecular Formular: C9H12N2O4
Molecular Mass: 212.20258
Monoisotopic Mass: 212.07970687
SMILES and InChIs

SMILES:
N(C(=O)OC(C)(C)C)c1occ(n1)C=O
Canonical SMILES:
O=Cc1coc(n1)NC(=O)OC(C)(C)C
InChI:
InChI=1S/C9H12N2O4/c1-9(2,3)15-8(13)11-7-10-6(4-12)5-14-7/h4-5H,1-3H3,(H,10,11,13)
InChIKey:
DTBAXVGCDQDCFQ-UHFFFAOYSA-N

Cite this record

CBID:813746 http://www.chembase.cn/molecule-813746.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-(4-formyl-1,3-oxazol-2-yl)carbamate
IUPAC Traditional name
tert-butyl N-(4-formyl-1,3-oxazol-2-yl)carbamate
Synonyms
tert-butyl 4-formyloxazol-2-ylcarbamate
CAS Number
1060816-37-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35827 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35827 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.593025  H Acceptors
H Donor LogD (pH = 5.5) 1.8973935 
LogD (pH = 7.4) 1.8973674  Log P 1.8973938 
Molar Refractivity 52.7317 cm3 Polarizability 19.468582 Å3
Polar Surface Area 81.43 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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