N-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide

C17H16N2O2S — CID 46347253

IUPACN-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ncoc2-c2ccc(C)s2)c1
InChIInChI=1S/C17H16N2O2S/c1-10-4-5-11(2)13(8-10)19-17(20)15-16(21-9-18-15)14-7-6-12(3)22-14/h4-9H,1-3H3,(H,19,20)
InChIKeyMBJSJTCFTGVWLR-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.58
Rot. Bonds3

About N-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide

N-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide (PubChem CID 46347253) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
PubChem CID46347253
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ncoc2-c2ccc(C)s2)c1
InChIInChI=1S/C17H16N2O2S/c1-10-4-5-11(2)13(8-10)19-17(20)15-16(21-9-18-15)14-7-6-12(3)22-14/h4-9H,1-3H3,(H,19,20)
InChIKeyMBJSJTCFTGVWLR-UHFFFAOYSA-N
XLogP4.58
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
CID 46347232
5-(3,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 20963840
N-(2-methylphenyl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689264
5-(3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 3232259
N-(2,5-dimethylphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 110683959
N-(2,5-dimethylphenyl)-3-fluoropyridine-2-carboxamide
CID 110474800
6-amino-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 62155556
N-(2,4-dimethylphenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963654
5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)thiophene-2-carboxamide
CID 4731603
N-(2,5-dimethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110857329
N-(3-fluoro-4-methylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 46347104
N-(2,5-dimethylphenyl)-1,3-thiazole-2-carboxamide
CID 110695993

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide (CID 46347253) is N-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide is Cc1ccc(C)c(NC(=O)c2ncoc2-c2ccc(C)s2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is MBJSJTCFTGVWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-10-4-5-11(2)13(8-10)19-17(20)15-16(21-9-18-15)14-7-6-12(3)22-14/h4-9H,1-3H3,(H,19,20).
What are the key properties of N-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide?
N-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46347253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).