(1S)-N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-2-phenylcyclopropane-1-carboxamide

C25H22N2O2 — CID 71085666

IUPAC(1S)-N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NC1=C(c2ccccc2)NC(c2ccccc2)O1)[C@H]1CC1c1ccccc1
InChIInChI=1S/C25H22N2O2/c28-23(21-16-20(21)17-10-4-1-5-11-17)27-25-22(18-12-6-2-7-13-18)26-24(29-25)19-14-8-3-9-15-19/h1-15,20-21,24,26H,16H2,(H,27,28)/t20?,21-,24?/m0/s1
InChIKeyFOZBGDKGVFQGMS-DQBMGFJSSA-N
MW382.46 g/mol
LogP4.55
Rot. Bonds5

About (1S)-N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-2-phenylcyclopropane-1-carboxamide

(1S)-N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 71085666) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is (1S)-N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-2-phenylcyclopropane-1-carboxamide
PubChem CID71085666
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name(1S)-N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NC1=C(c2ccccc2)NC(c2ccccc2)O1)[C@H]1CC1c1ccccc1
InChIInChI=1S/C25H22N2O2/c28-23(21-16-20(21)17-10-4-1-5-11-17)27-25-22(18-12-6-2-7-13-18)26-24(29-25)19-14-8-3-9-15-19/h1-15,20-21,24,26H,16H2,(H,27,28)/t20?,21-,24?/m0/s1
InChIKeyFOZBGDKGVFQGMS-DQBMGFJSSA-N
XLogP4.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-({2-methyl-2-[(propan-2-yl)carbamoyl]cyclopropyl}(phenyl)methyl)carbamate
CID 56947089
benzyl N-[(R)-[(1S,2S)-2-methyl-2-[(propan-2-yl)carbamoyl]cyclopropyl](phenyl)methyl]carbamate
CID 56947088
N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]cyclopropyl]-phenylmethyl]carbamic acid (phenylmethyl) ester
CID 3247282
benzyl N-[(R)-[(1R,2S)-1-methyl-2-[(2R)-1-(methylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]carbamate
CID 3247286
benzyl N-[(R)-[(1R,2S)-2-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-1-methylcyclopropyl]-phenylmethyl]carbamate
CID 3247291
benzyl N-[(R)-[(1R,2R)-2-(dimethylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate
CID 5461313
benzyl N-[(R)-[(1R,2R)-2-(methylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate
CID 5461315
benzyl N-[(R)-[(1R,2R)-1-methyl-2-(propan-2-ylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate
CID 5461352
benzyl N-[(R)-[(1R,2R)-2-(benzylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate
CID 3247267
benzyl N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-(methylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]carbamate
CID 3247277
benzyl N-[(S)-[(1R,2R)-2-methyl-2-[[(S)-[(1R,2R)-2-methyl-2-(methylcarbamoyl)cyclopropyl]-phenylmethyl]carbamoyl]cyclopropyl]-phenylmethyl]carbamate
CID 5461330
benzyl N-[(S)-[(1S,2R)-2-[(2R)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]-1-methylcyclopropyl]-phenylmethyl]carbamate
CID 3247317

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-2-phenylcyclopropane-1-carboxamide (CID 71085666) is (1S)-N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-2-phenylcyclopropane-1-carboxamide is O=C(NC1=C(c2ccccc2)NC(c2ccccc2)O1)[C@H]1CC1c1ccccc1.
What is the InChIKey of (1S)-N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is FOZBGDKGVFQGMS-DQBMGFJSSA-N. The full InChI is InChI=1S/C25H22N2O2/c28-23(21-16-20(21)17-10-4-1-5-11-17)27-25-22(18-12-6-2-7-13-18)26-24(29-25)19-14-8-3-9-15-19/h1-15,20-21,24,26H,16H2,(H,27,28)/t20?,21-,24?/m0/s1.
What are the key properties of (1S)-N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-2-phenylcyclopropane-1-carboxamide?
(1S)-N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 71085666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).