3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]propanamide

C25H25N3O2S — CID 24550486

IUPAC3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]propanamide
SMILESCCCc1ccc(C(NC(=O)CCc2nnc(-c3ccccc3)o2)c2cccs2)cc1
InChIInChI=1S/C25H25N3O2S/c1-2-7-18-11-13-19(14-12-18)24(21-10-6-17-31-21)26-22(29)15-16-23-27-28-25(30-23)20-8-4-3-5-9-20/h3-6,8-14,17,24H,2,7,15-16H2,1H3,(H,26,29)
InChIKeyUXBAKDYYXAEOID-UHFFFAOYSA-N
MW431.56 g/mol
LogP5.59
Rot. Bonds9

About 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]propanamide

3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]propanamide (PubChem CID 24550486) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]propanamide.

Molecular Properties

Compound Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]propanamide
PubChem CID24550486
Molecular FormulaC25H25N3O2S
Molecular Weight431.56 g/mol
Exact Mass431.17
IUPAC Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]propanamide
SMILESCCCc1ccc(C(NC(=O)CCc2nnc(-c3ccccc3)o2)c2cccs2)cc1
InChIInChI=1S/C25H25N3O2S/c1-2-7-18-11-13-19(14-12-18)24(21-10-6-17-31-21)26-22(29)15-16-23-27-28-25(30-23)20-8-4-3-5-9-20/h3-6,8-14,17,24H,2,7,15-16H2,1H3,(H,26,29)
InChIKeyUXBAKDYYXAEOID-UHFFFAOYSA-N
XLogP5.59
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 24547864
N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217058
3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 94692581
3-(4-methoxyphenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
CID 8854024
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 30527770
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]acetamide
CID 31589860
N-[1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 24516334
N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide
CID 7669881
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide
CID 46449917
(2R)-N,4-dimethyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanamide
CID 94172403
2-methyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanoic acid
CID 119192005
N-[phenyl(pyridin-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 134046683

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]propanamide?
The IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]propanamide (CID 24550486) is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]propanamide.
What is the SMILES notation for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]propanamide?
The canonical SMILES for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]propanamide is CCCc1ccc(C(NC(=O)CCc2nnc(-c3ccccc3)o2)c2cccs2)cc1.
What is the InChIKey of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]propanamide?
The InChIKey is UXBAKDYYXAEOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2S/c1-2-7-18-11-13-19(14-12-18)24(21-10-6-17-31-21)26-22(29)15-16-23-27-28-25(30-23)20-8-4-3-5-9-20/h3-6,8-14,17,24H,2,7,15-16H2,1H3,(H,26,29).
What are the key properties of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]propanamide?
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]propanamide has a molecular weight of 431.56 g/mol, XLogP of 5.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]propanamide is sourced from PubChem (CID 24550486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).