N-[(1R)-1-(4-cyanophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide

C27H23N3O2 — CID 38648352

IUPACN-[(1R)-1-(4-cyanophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
SMILESC[C@@H](NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(C#N)cc1
InChIInChI=1S/C27H23N3O2/c1-19(21-14-12-20(18-28)13-15-21)29-24(31)16-17-25-30-26(22-8-4-2-5-9-22)27(32-25)23-10-6-3-7-11-23/h2-15,19H,16-17H2,1H3,(H,29,31)/t19-/m1/s1
InChIKeyURKBFDGWRZBGLL-LJQANCHMSA-N
MW421.50 g/mol
LogP5.69
Rot. Bonds7

About N-[(1R)-1-(4-cyanophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide

N-[(1R)-1-(4-cyanophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 38648352) has the molecular formula C27H23N3O2 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[(1R)-1-(4-cyanophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-cyanophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
PubChem CID38648352
Molecular FormulaC27H23N3O2
Molecular Weight421.50 g/mol
Exact Mass421.18
IUPAC NameN-[(1R)-1-(4-cyanophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
SMILESC[C@@H](NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(C#N)cc1
InChIInChI=1S/C27H23N3O2/c1-19(21-14-12-20(18-28)13-15-21)29-24(31)16-17-25-30-26(22-8-4-2-5-9-22)27(32-25)23-10-6-3-7-11-23/h2-15,19H,16-17H2,1H3,(H,29,31)/t19-/m1/s1
InChIKeyURKBFDGWRZBGLL-LJQANCHMSA-N
XLogP5.69
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 37459895
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 26082693
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 25472531
4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane
CID 144634986
zinc;bis(3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate);dihydrate
CID 71477488
3-chloro-N-[1-(4-cyanophenyl)ethyl]propanamide
CID 43698287
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 4904052
N-[1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 24516334
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 170459443
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-phenylethyl]urea
CID 38288341
4-chloro-N-[1-(4-cyanophenyl)ethyl]butanamide
CID 63307623
6-(4,5-diphenyl-1,3-oxazol-2-yl)-4-oxohexanoic acid
CID 157423218

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-cyanophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-[(1R)-1-(4-cyanophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide (CID 38648352) is N-[(1R)-1-(4-cyanophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-[(1R)-1-(4-cyanophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-[(1R)-1-(4-cyanophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide is C[C@@H](NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(C#N)cc1.
What is the InChIKey of N-[(1R)-1-(4-cyanophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is URKBFDGWRZBGLL-LJQANCHMSA-N. The full InChI is InChI=1S/C27H23N3O2/c1-19(21-14-12-20(18-28)13-15-21)29-24(31)16-17-25-30-26(22-8-4-2-5-9-22)27(32-25)23-10-6-3-7-11-23/h2-15,19H,16-17H2,1H3,(H,29,31)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-(4-cyanophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
N-[(1R)-1-(4-cyanophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 421.50 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-cyanophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 38648352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).