N-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C16H15N3O3S — CID 15990412

IUPACN-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOc1cccc(NC(=O)CCc2nc(-c3cccs3)no2)c1
InChIInChI=1S/C16H15N3O3S/c1-21-12-5-2-4-11(10-12)17-14(20)7-8-15-18-16(19-22-15)13-6-3-9-23-13/h2-6,9-10H,7-8H2,1H3,(H,17,20)
InChIKeyCYLXGKJVRWURMY-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.38
Rot. Bonds6

About N-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 15990412) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID15990412
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOc1cccc(NC(=O)CCc2nc(-c3cccs3)no2)c1
InChIInChI=1S/C16H15N3O3S/c1-21-12-5-2-4-11(10-12)17-14(20)7-8-15-18-16(19-22-15)13-6-3-9-23-13/h2-6,9-10H,7-8H2,1H3,(H,17,20)
InChIKeyCYLXGKJVRWURMY-UHFFFAOYSA-N
XLogP3.38
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
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N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55686757
N-(3-methylsulfanylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
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N-(3-methoxyphenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3159529
N-(3-methoxyphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
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N-(2-butoxy-5-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 35363903
2-methyl-N-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanamide
CID 36557890
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
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N-methyl-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide
CID 38924123
N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 60581340
N-(4-phenylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9075415
N-(4-methylsulfonylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 15990412) is N-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is COc1cccc(NC(=O)CCc2nc(-c3cccs3)no2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is CYLXGKJVRWURMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-21-12-5-2-4-11(10-12)17-14(20)7-8-15-18-16(19-22-15)13-6-3-9-23-13/h2-6,9-10H,7-8H2,1H3,(H,17,20).
What are the key properties of N-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 329.38 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 15990412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).