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

C27H22N4O2S — CID 24593330

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C27H22N4O2S/c32-22(28-27-31-30-24(34-27)18-19-10-4-1-5-11-19)16-17-23-29-25(20-12-6-2-7-13-20)26(33-23)21-14-8-3-9-15-21/h1-15H,16-18H2,(H,28,31,32)
InChIKeyKUXADTVKZPAHLN-UHFFFAOYSA-N
MW466.57 g/mol
LogP6.02
Rot. Bonds8

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

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 24593330) has the molecular formula C27H22N4O2S and a molecular weight of 466.57 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
PubChem CID24593330
Molecular FormulaC27H22N4O2S
Molecular Weight466.57 g/mol
Exact Mass466.15
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C27H22N4O2S/c32-22(28-27-31-30-24(34-27)18-19-10-4-1-5-11-19)16-17-23-29-25(20-12-6-2-7-13-20)26(33-23)21-14-8-3-9-15-21/h1-15H,16-18H2,(H,28,31,32)
InChIKeyKUXADTVKZPAHLN-UHFFFAOYSA-N
XLogP6.02
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.57
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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)-N-(1,3-thiazol-2-yl)propanamide
CID 4904052
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-ethylphenyl)propanamide
CID 18272399
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614
4-amino-N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide
CID 39182812
4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane
CID 144634986
N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide
CID 794578
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-N'-hydroxyoctanediamide
CID 56944887
zinc;bis(3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate);dihydrate
CID 71477488
N-(3,4-dimethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 18271983
N-(2,4-difluorophenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 43038655

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide (CID 24593330) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide is O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1nnc(Cc2ccccc2)s1.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is KUXADTVKZPAHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O2S/c32-22(28-27-31-30-24(34-27)18-19-10-4-1-5-11-19)16-17-23-29-25(20-12-6-2-7-13-20)26(33-23)21-14-8-3-9-15-21/h1-15H,16-18H2,(H,28,31,32).
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 466.57 g/mol, XLogP of 6.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 24593330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).