3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(3-methoxyphenyl)propanamide

C25H22N2O3 — CID 18204988

IUPAC3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1
InChIInChI=1S/C25H22N2O3/c1-29-21-14-8-13-20(17-21)26-22(28)15-16-23-27-24(18-9-4-2-5-10-18)25(30-23)19-11-6-3-7-12-19/h2-14,17H,15-16H2,1H3,(H,26,28)
InChIKeyPSZQJHVZJHBGGW-UHFFFAOYSA-N
MW398.46 g/mol
LogP5.59
Rot. Bonds7

About 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(3-methoxyphenyl)propanamide

3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(3-methoxyphenyl)propanamide (PubChem CID 18204988) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(3-methoxyphenyl)propanamide
PubChem CID18204988
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1
InChIInChI=1S/C25H22N2O3/c1-29-21-14-8-13-20(17-21)26-22(28)15-16-23-27-24(18-9-4-2-5-10-18)25(30-23)19-11-6-3-7-12-19/h2-14,17H,15-16H2,1H3,(H,26,28)
InChIKeyPSZQJHVZJHBGGW-UHFFFAOYSA-N
XLogP5.59
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 18271983
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(methylaminomethyl)phenyl]propanamide
CID 171679462
N-(3-methoxyphenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335116
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 2041528
N-(2,4-difluorophenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 43038655
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 43039542
N-(2,5-diethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 41295504
N-(3-methoxyphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51233747
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)propanamide
CID 17437982
4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane
CID 144634986
N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 110468427
N-(3-methoxyphenyl)-4-phenylbutanamide
CID 683926

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(3-methoxyphenyl)propanamide (CID 18204988) is 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1.
What is the InChIKey of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(3-methoxyphenyl)propanamide?
The InChIKey is PSZQJHVZJHBGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-29-21-14-8-13-20(17-21)26-22(28)15-16-23-27-24(18-9-4-2-5-10-18)25(30-23)19-11-6-3-7-12-19/h2-14,17H,15-16H2,1H3,(H,26,28).
What are the key properties of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(3-methoxyphenyl)propanamide?
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(3-methoxyphenyl)propanamide has a molecular weight of 398.46 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 18204988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).