N-(2,6-dimethylphenyl)-1,2-oxazole-5-carboxamide

C12H12N2O2 — CID 3073026

IUPACN-(2,6-dimethylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccno1
InChIInChI=1S/C12H12N2O2/c1-8-4-3-5-9(2)11(8)14-12(15)10-6-7-13-16-10/h3-7H,1-2H3,(H,14,15)
InChIKeyRLTVQTBCVWIEPZ-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.54
Rot. Bonds2

About N-(2,6-dimethylphenyl)-1,2-oxazole-5-carboxamide

N-(2,6-dimethylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 3073026) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID3073026
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC NameN-(2,6-dimethylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccno1
InChIInChI=1S/C12H12N2O2/c1-8-4-3-5-9(2)11(8)14-12(15)10-6-7-13-16-10/h3-7H,1-2H3,(H,14,15)
InChIKeyRLTVQTBCVWIEPZ-UHFFFAOYSA-N
XLogP2.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-((4-(4-methylpiperazin-1-yl)phenyl)methyl)-1,2-oxazole-5-carboxamide
CID 2738575
N-(4-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 6622808
N'-(2,4-dimethylphenyl)-5-isoxazolecarbohydrazide
CID 2812370
N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432
N-(2-methylphenyl)-1,2-oxazole-5-carboxamide
CID 7996638
3-methyl-N-(4-methylphenyl)isoxazole-5-carboxamide
CID 6619782
N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]isoxazole-5-carboxamide
CID 16745822
2-methyl-N-(5-methyl-1,2-oxazol-4-yl)benzamide
CID 122189949
3-methyl-N-(2-methylphenyl)-1,2-oxazole-5-carboxamide
CID 8152025
N-(2-butan-2-ylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16291880
N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 129626030
5-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-3-methyl-
CID 3076181

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-1,2-oxazole-5-carboxamide (CID 3073026) is N-(2,6-dimethylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-1,2-oxazole-5-carboxamide is Cc1cccc(C)c1NC(=O)c1ccno1.
What is the InChIKey of N-(2,6-dimethylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is RLTVQTBCVWIEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-4-3-5-9(2)11(8)14-12(15)10-6-7-13-16-10/h3-7H,1-2H3,(H,14,15).
What are the key properties of N-(2,6-dimethylphenyl)-1,2-oxazole-5-carboxamide?
N-(2,6-dimethylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3073026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).