3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide

C13H14N2O2 — CID 770336

IUPAC3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C13H14N2O2/c1-8-4-6-11(7-5-8)14-13(16)12-9(2)15-17-10(12)3/h4-7H,1-3H3,(H,14,16)
InChIKeyLTTXLODSULZMKH-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.85
Rot. Bonds2

About 3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 770336) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID770336
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C13H14N2O2/c1-8-4-6-11(7-5-8)14-13(16)12-9(2)15-17-10(12)3/h4-7H,1-3H3,(H,14,16)
InChIKeyLTTXLODSULZMKH-UHFFFAOYSA-N
XLogP2.85
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3899
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CID 25265089
N-(4-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
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5-amino-N-(2-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
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Mls003170801
CID 332790
N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 975481
N-(2-fluorobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 1247514
N-(4-cyanophenyl)-3,5-dimethylisoxazole-4-carboxamide
CID 2741509
N4-(4-methylphenyl)-3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)isoxazole-4-carboxamide
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3,7-Dimethyl-5-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one
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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide (CID 770336) is 3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide is Cc1ccc(NC(=O)c2c(C)noc2C)cc1.
What is the InChIKey of 3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is LTTXLODSULZMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-4-6-11(7-5-8)14-13(16)12-9(2)15-17-10(12)3/h4-7H,1-3H3,(H,14,16).
What are the key properties of 3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 770336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).