1-phenyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide

C20H20N2O2 — CID 134945804

IUPAC1-phenyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCC1CC(c2ccccc2)=NO1)C1(c2ccccc2)CC1
InChIInChI=1S/C20H20N2O2/c23-19(20(11-12-20)16-9-5-2-6-10-16)21-14-17-13-18(22-24-17)15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,21,23)
InChIKeyAWGXENHYGRGOQP-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.03
Rot. Bonds5

About 1-phenyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide

1-phenyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 134945804) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-phenyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide
PubChem CID134945804
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-phenyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCC1CC(c2ccccc2)=NO1)C1(c2ccccc2)CC1
InChIInChI=1S/C20H20N2O2/c23-19(20(11-12-20)16-9-5-2-6-10-16)21-14-17-13-18(22-24-17)15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,21,23)
InChIKeyAWGXENHYGRGOQP-UHFFFAOYSA-N
XLogP3.03
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-aminocyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 106124685
N-(cyclopropylmethyl)-1-phenylcyclobutane-1-carboxamide
CID 34832176
5-(iodomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 72741218
1-(furan-2-ylmethyl)-3-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]thiourea
CID 2815772
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-phenylcyclopentane-1-carboxamide
CID 790018
2-[[[4-[4-[(5R)-5-(acetamidomethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]methylamino]oxymethyl]benzoic acid
CID 89030715
N-butyl-1-(2-methylpropanoyl)-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 46951196
1-ethyl-3,3-dimethyl-1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]urea
CID 42790280
tert-butyl N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]carbamate
CID 124709444
N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 138989465
5-(nitromethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 12606163
N-[(4-methylmorpholin-2-yl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 49094024

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-phenyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide (CID 134945804) is 1-phenyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-phenyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide is O=C(NCC1CC(c2ccccc2)=NO1)C1(c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is AWGXENHYGRGOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-19(20(11-12-20)16-9-5-2-6-10-16)21-14-17-13-18(22-24-17)15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,21,23).
What are the key properties of 1-phenyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide?
1-phenyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134945804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).