5-methyl-N-(1,2-oxazol-3-yl)-4-phenylthiophene-3-carboxamide

C15H12N2O2S — CID 2970361

IUPAC5-methyl-N-(1,2-oxazol-3-yl)-4-phenylthiophene-3-carboxamide
SMILESCc1scc(C(=O)Nc2ccon2)c1-c1ccccc1
InChIInChI=1S/C15H12N2O2S/c1-10-14(11-5-3-2-4-6-11)12(9-20-10)15(18)16-13-7-8-19-17-13/h2-9H,1H3,(H,16,17,18)
InChIKeyGFFALCSDYJBCIZ-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.96
Rot. Bonds3

About 5-methyl-N-(1,2-oxazol-3-yl)-4-phenylthiophene-3-carboxamide

5-methyl-N-(1,2-oxazol-3-yl)-4-phenylthiophene-3-carboxamide (PubChem CID 2970361) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-methyl-N-(1,2-oxazol-3-yl)-4-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1,2-oxazol-3-yl)-4-phenylthiophene-3-carboxamide
PubChem CID2970361
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name5-methyl-N-(1,2-oxazol-3-yl)-4-phenylthiophene-3-carboxamide
SMILESCc1scc(C(=O)Nc2ccon2)c1-c1ccccc1
InChIInChI=1S/C15H12N2O2S/c1-10-14(11-5-3-2-4-6-11)12(9-20-10)15(18)16-13-7-8-19-17-13/h2-9H,1H3,(H,16,17,18)
InChIKeyGFFALCSDYJBCIZ-UHFFFAOYSA-N
XLogP3.96
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1,2-oxazol-3-yl)-4-phenylthiophene-3-carboxamide?
The IUPAC name of 5-methyl-N-(1,2-oxazol-3-yl)-4-phenylthiophene-3-carboxamide (CID 2970361) is 5-methyl-N-(1,2-oxazol-3-yl)-4-phenylthiophene-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(1,2-oxazol-3-yl)-4-phenylthiophene-3-carboxamide?
The canonical SMILES for 5-methyl-N-(1,2-oxazol-3-yl)-4-phenylthiophene-3-carboxamide is Cc1scc(C(=O)Nc2ccon2)c1-c1ccccc1.
What is the InChIKey of 5-methyl-N-(1,2-oxazol-3-yl)-4-phenylthiophene-3-carboxamide?
The InChIKey is GFFALCSDYJBCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-10-14(11-5-3-2-4-6-11)12(9-20-10)15(18)16-13-7-8-19-17-13/h2-9H,1H3,(H,16,17,18).
What are the key properties of 5-methyl-N-(1,2-oxazol-3-yl)-4-phenylthiophene-3-carboxamide?
5-methyl-N-(1,2-oxazol-3-yl)-4-phenylthiophene-3-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1,2-oxazol-3-yl)-4-phenylthiophene-3-carboxamide is sourced from PubChem (CID 2970361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).