N-[(4-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C17H17N3O2S — CID 7437463

IUPACN-[(4-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1ccc(CNC(=O)CCc2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C17H17N3O2S/c1-12-4-6-13(7-5-12)11-18-15(21)8-9-16-19-17(20-22-16)14-3-2-10-23-14/h2-7,10H,8-9,11H2,1H3,(H,18,21)
InChIKeyBLFAJLVFAAGFSA-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.36
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[(4-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 7437463) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID7437463
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-[(4-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1ccc(CNC(=O)CCc2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C17H17N3O2S/c1-12-4-6-13(7-5-12)11-18-15(21)8-9-16-19-17(20-22-16)14-3-2-10-23-14/h2-7,10H,8-9,11H2,1H3,(H,18,21)
InChIKeyBLFAJLVFAAGFSA-UHFFFAOYSA-N
XLogP3.36
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-1-[4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-one
CID 24804103
2-Phenyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethanone
CID 1453697
2-Cyclopentyl-1-[4-(3-thiophen-2-yl-[1,2,4]oxadiazol-5-yl)-piperidin-1-yl]-ethanone
CID 52952510
2-Cyclohexyl-1-[4-(3-thiophen-2-yl-[1,2,4]oxadiazol-5-yl)-piperidin-1-yl]-ethanone
CID 52952612
N-(2-phenylethyl)-3-(2-thienyl)-1,2,4-oxadiazole-5-carboxamide
CID 1506858
N-(2-ethylphenyl)-3-(3-thien-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 4208137
N-(2-chloro-4-fluoro-benzyl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propionamide
CID 9550879
N-(4-ethylbenzyl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propionamide
CID 9550880
2-(4-Fluorophenyl)-1-[4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]ethanone
CID 52952086
4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide
CID 91668291
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide
CID 118712630
N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3826565

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 7437463) is N-[(4-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is Cc1ccc(CNC(=O)CCc2nc(-c3cccs3)no2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is BLFAJLVFAAGFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-12-4-6-13(7-5-12)11-18-15(21)8-9-16-19-17(20-22-16)14-3-2-10-23-14/h2-7,10H,8-9,11H2,1H3,(H,18,21).
What are the key properties of N-[(4-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[(4-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 327.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 7437463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).