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

C17H16N2O3S — CID 53143269

IUPAC3-(4-methoxyphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2cc(-c3ccsc3)no2)cc1
InChIInChI=1S/C17H16N2O3S/c1-21-14-5-2-12(3-6-14)4-7-16(20)18-17-10-15(19-22-17)13-8-9-23-11-13/h2-3,5-6,8-11H,4,7H2,1H3,(H,18,20)
InChIKeyRVUPYCSPDXEQJK-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.98
Rot. Bonds6

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

3-(4-methoxyphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)propanamide (PubChem CID 53143269) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)propanamide
PubChem CID53143269
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name3-(4-methoxyphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2cc(-c3ccsc3)no2)cc1
InChIInChI=1S/C17H16N2O3S/c1-21-14-5-2-12(3-6-14)4-7-16(20)18-17-10-15(19-22-17)13-8-9-23-11-13/h2-3,5-6,8-11H,4,7H2,1H3,(H,18,20)
InChIKeyRVUPYCSPDXEQJK-UHFFFAOYSA-N
XLogP3.98
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethoxyphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)acetamide
CID 53143312
3-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]propanamide
CID 53143342
3-methoxy-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)benzamide
CID 53143279
2-iodo-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 13362982
3-cyclopentyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)propanamide
CID 53143257
2-(4-methoxyphenyl)-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide
CID 53143050
5-bromo-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)furan-2-carboxamide
CID 53143253
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7517994
N-(4-methoxyphenyl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 26688697
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 16580397
2,4-dimethyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)benzamide
CID 53143283
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 56544663

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)propanamide (CID 53143269) is 3-(4-methoxyphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)propanamide is COc1ccc(CCC(=O)Nc2cc(-c3ccsc3)no2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)propanamide?
The InChIKey is RVUPYCSPDXEQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-21-14-5-2-12(3-6-14)4-7-16(20)18-17-10-15(19-22-17)13-8-9-23-11-13/h2-3,5-6,8-11H,4,7H2,1H3,(H,18,20).
What are the key properties of 3-(4-methoxyphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)propanamide?
3-(4-methoxyphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)propanamide has a molecular weight of 328.39 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 53143269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).