2-{[2-(3-ethyl-1,2-oxazol-5-yl)-1H-imidazol-1-yl]methyl}-4-methyl-5,6,7,8-tetrahydroquinazoline

• ChemBase ID: 386490
• Molecular Formular: C18H21N5O
• Molecular Mass: 323.39224
• Monoisotopic Mass: 323.17461032
• SMILES: c1(c2n(Cc3nc4c(c(n3)C)CCCC4)ccn2)onc(c1)CC
• Canonical SMILES: CCc1noc(c1)c1nccn1Cc1nc(C)c2c(n1)CCCC2
• InChI: InChI=1S/C18H21N5O/c1-3-13-10-16(24-22-13)18-19-8-9-23(18)11-17-20-12(2)14-6-4-5-7-15(14)21-17/h8-10H,3-7,11H2,1-2H3
• InChIKey: HBURZKPNAHPHAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[2-(3-ethyl-1,2-oxazol-5-yl)-1H-imidazol-1-yl]methyl}-4-methyl-5,6,7,8-tetrahydroquinazoline
• IUPAC Traditional name: 2-{[2-(3-ethyl-1,2-oxazol-5-yl)imidazol-1-yl]methyl}-4-methyl-5,6,7,8-tetrahydroquinazoline
• Synonyms: 2-{[2-(3-ethylisoxazol-5-yl)-1H-imidazol-1-yl]methyl}-4-methyl-5,6,7,8-tetrahydroquinazoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0172014
• LogD (pH = 7.4): 3.0579724
• Log P: 3.0585196
• Molar Refractivity: 101.9865 cm^3
• Polarizability: 34.827724 Å^3
• Polar Surface Area: 69.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.17
• LOG S: -3.41
• Polar Surface Area: 69.63 Å^2
• Rotatable Bonds: 4