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

C21H17N3O2S — CID 4904052

IUPAC3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1nccs1
InChIInChI=1S/C21H17N3O2S/c25-17(23-21-22-13-14-27-21)11-12-18-24-19(15-7-3-1-4-8-15)20(26-18)16-9-5-2-6-10-16/h1-10,13-14H,11-12H2,(H,22,23,25)
InChIKeyQAMBGAYKUNJQTG-UHFFFAOYSA-N
MW375.45 g/mol
LogP5.04
Rot. Bonds6

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

3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 4904052) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID4904052
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC Name3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1nccs1
InChIInChI=1S/C21H17N3O2S/c25-17(23-21-22-13-14-27-21)11-12-18-24-19(15-7-3-1-4-8-15)20(26-18)16-9-5-2-6-10-16/h1-10,13-14H,11-12H2,(H,22,23,25)
InChIKeyQAMBGAYKUNJQTG-UHFFFAOYSA-N
XLogP5.04
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.45
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 24593330
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 24593000
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614
zinc;bis(3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate);dihydrate
CID 71477488
N-(2,4-difluorophenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 43038655
4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane
CID 144634986
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-methoxyphenyl)propanamide
CID 18204988
6-(4,5-diphenyl-1,3-oxazol-2-yl)-4-oxohexanoic acid
CID 157423218
N-(2,5-diethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 41295504
N-(1,3-thiazol-2-yl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 16588059
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 24595395

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 4904052) is 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide is O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1nccs1.
What is the InChIKey of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is QAMBGAYKUNJQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c25-17(23-21-22-13-14-27-21)11-12-18-24-19(15-7-3-1-4-8-15)20(26-18)16-9-5-2-6-10-16/h1-10,13-14H,11-12H2,(H,22,23,25).
What are the key properties of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 375.45 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 4904052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).