N-(2,6-dimethyl-3-pyridinyl)-3-phenyl-1,2-oxazole-5-carboxamide

C17H15N3O2 — CID 99577393

IUPACN-(2,6-dimethyl-3-pyridinyl)-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccccc3)no2)c(C)n1
InChIInChI=1S/C17H15N3O2/c1-11-8-9-14(12(2)18-11)19-17(21)16-10-15(20-22-16)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,21)
InChIKeyAXRIGSGSQBUGEA-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.61
Rot. Bonds3

About N-(2,6-dimethyl-3-pyridinyl)-3-phenyl-1,2-oxazole-5-carboxamide

N-(2,6-dimethyl-3-pyridinyl)-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 99577393) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(2,6-dimethyl-3-pyridinyl)-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-3-pyridinyl)-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID99577393
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-(2,6-dimethyl-3-pyridinyl)-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccccc3)no2)c(C)n1
InChIInChI=1S/C17H15N3O2/c1-11-8-9-14(12(2)18-11)19-17(21)16-10-15(20-22-16)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,21)
InChIKeyAXRIGSGSQBUGEA-UHFFFAOYSA-N
XLogP3.61
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 86789667
N-[2-(2-methoxyethyl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 166217471
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 46476032
N-(3-aminophenyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 89210653
N-(1-methylimidazol-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 134700846
N-(2,4-dimethylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 46471110
(2S)-3-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 61137160
3-phenyl-N-(2,4,4-trimethylpentan-2-yl)-1,2-oxazole-5-carboxamide
CID 55670941
N-[2-(4-bromopyrazol-1-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 55764988
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 55666254
N-(2-tert-butylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 43068926
N-(2-carbamoyl-3-methylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 87006047

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-3-pyridinyl)-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2,6-dimethyl-3-pyridinyl)-3-phenyl-1,2-oxazole-5-carboxamide (CID 99577393) is N-(2,6-dimethyl-3-pyridinyl)-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,6-dimethyl-3-pyridinyl)-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2,6-dimethyl-3-pyridinyl)-3-phenyl-1,2-oxazole-5-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccccc3)no2)c(C)n1.
What is the InChIKey of N-(2,6-dimethyl-3-pyridinyl)-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is AXRIGSGSQBUGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-8-9-14(12(2)18-11)19-17(21)16-10-15(20-22-16)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,21).
What are the key properties of N-(2,6-dimethyl-3-pyridinyl)-3-phenyl-1,2-oxazole-5-carboxamide?
N-(2,6-dimethyl-3-pyridinyl)-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-3-pyridinyl)-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 99577393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).