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

C28H27N3O3 — CID 37459895

IUPACN-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
SMILESCC(=O)Nc1cccc([C@@H](C)NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1
InChIInChI=1S/C28H27N3O3/c1-19(23-14-9-15-24(18-23)30-20(2)32)29-25(33)16-17-26-31-27(21-10-5-3-6-11-21)28(34-26)22-12-7-4-8-13-22/h3-15,18-19H,16-17H2,1-2H3,(H,29,33)(H,30,32)/t19-/m1/s1
InChIKeyYDXFQWKDNMIGLY-LJQANCHMSA-N
MW453.54 g/mol
LogP5.78
Rot. Bonds8

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

N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 37459895) has the molecular formula C28H27N3O3 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
PubChem CID37459895
Molecular FormulaC28H27N3O3
Molecular Weight453.54 g/mol
Exact Mass453.21
IUPAC NameN-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
SMILESCC(=O)Nc1cccc([C@@H](C)NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1
InChIInChI=1S/C28H27N3O3/c1-19(23-14-9-15-24(18-23)30-20(2)32)29-25(33)16-17-26-31-27(21-10-5-3-6-11-21)28(34-26)22-12-7-4-8-13-22/h3-15,18-19H,16-17H2,1-2H3,(H,29,33)(H,30,32)/t19-/m1/s1
InChIKeyYDXFQWKDNMIGLY-LJQANCHMSA-N
XLogP5.78
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.54
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-cyanophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 38648352
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(3-methoxyphenyl)propanamide
CID 18204988
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 26082693
N-[1-(3-acetamidophenyl)ethyl]-3-(2-aminophenyl)propanamide
CID 120608696
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 25472531
N-(3,4-dimethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 18271983
4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane
CID 144634986
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614
N-[1-(3-acetamidophenyl)ethyl]-5-amino-4-methylpentanamide
CID 82014074
N-[1-(3-acetamidophenyl)ethyl]-4-naphthalen-1-yloxybutanamide
CID 55710931
N-[3-[1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]ethyl]phenyl]benzamide
CID 55693673

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide (CID 37459895) is N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide is CC(=O)Nc1cccc([C@@H](C)NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1.
What is the InChIKey of N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is YDXFQWKDNMIGLY-LJQANCHMSA-N. The full InChI is InChI=1S/C28H27N3O3/c1-19(23-14-9-15-24(18-23)30-20(2)32)29-25(33)16-17-26-31-27(21-10-5-3-6-11-21)28(34-26)22-12-7-4-8-13-22/h3-15,18-19H,16-17H2,1-2H3,(H,29,33)(H,30,32)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 453.54 g/mol, XLogP of 5.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 37459895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).