3-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]propanamide

C18H18N2O3S — CID 53143342

IUPAC3-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2cc(-c3ccc(C)s3)no2)cc1
InChIInChI=1S/C18H18N2O3S/c1-12-3-9-16(24-12)15-11-18(23-20-15)19-17(21)10-6-13-4-7-14(22-2)8-5-13/h3-5,7-9,11H,6,10H2,1-2H3,(H,19,21)
InChIKeyZNPMIBLOJHOQAJ-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.29
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]propanamide

3-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]propanamide (PubChem CID 53143342) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]propanamide
PubChem CID53143342
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name3-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2cc(-c3ccc(C)s3)no2)cc1
InChIInChI=1S/C18H18N2O3S/c1-12-3-9-16(24-12)15-11-18(23-20-15)19-17(21)10-6-13-4-7-14(22-2)8-5-13/h3-5,7-9,11H,6,10H2,1-2H3,(H,19,21)
InChIKeyZNPMIBLOJHOQAJ-UHFFFAOYSA-N
XLogP4.29
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)propanamide
CID 53143269
2-iodo-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 13362982
[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
CID 26168025
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7517994
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
(3R)-1-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 95095106
2-(4-methoxyphenyl)-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide
CID 53143050
N-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17173046
3-(4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 19221042
3-(4-methoxyphenyl)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 71781001
3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 94665559
(2S)-2-[3-(4-methoxyphenyl)propanoylamino]butanedioic acid
CID 112732957

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]propanamide (CID 53143342) is 3-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]propanamide is COc1ccc(CCC(=O)Nc2cc(-c3ccc(C)s3)no2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]propanamide?
The InChIKey is ZNPMIBLOJHOQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-12-3-9-16(24-12)15-11-18(23-20-15)19-17(21)10-6-13-4-7-14(22-2)8-5-13/h3-5,7-9,11H,6,10H2,1-2H3,(H,19,21).
What are the key properties of 3-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]propanamide?
3-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]propanamide has a molecular weight of 342.42 g/mol, XLogP of 4.29, 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-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]propanamide is sourced from PubChem (CID 53143342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).