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

C17H16N2O2S — CID 46093938

IUPAC3-methyl-N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1cccc(CNC(=O)c2c(C)noc2-c2cccs2)c1
InChIInChI=1S/C17H16N2O2S/c1-11-5-3-6-13(9-11)10-18-17(20)15-12(2)19-21-16(15)14-7-4-8-22-14/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyLTHKYISHLYNZRR-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.95
Rot. Bonds4

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

3-methyl-N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 46093938) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-methyl-N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
PubChem CID46093938
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name3-methyl-N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1cccc(CNC(=O)c2c(C)noc2-c2cccs2)c1
InChIInChI=1S/C17H16N2O2S/c1-11-5-3-6-13(9-11)10-18-17(20)15-12(2)19-21-16(15)14-7-4-8-22-14/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyLTHKYISHLYNZRR-UHFFFAOYSA-N
XLogP3.95
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-4-carboxamide (CID 46093938) is 3-methyl-N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-4-carboxamide is Cc1cccc(CNC(=O)c2c(C)noc2-c2cccs2)c1.
What is the InChIKey of 3-methyl-N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is LTHKYISHLYNZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-11-5-3-6-13(9-11)10-18-17(20)15-12(2)19-21-16(15)14-7-4-8-22-14/h3-9H,10H2,1-2H3,(H,18,20).
What are the key properties of 3-methyl-N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
3-methyl-N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46093938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).