N-(2-methylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

C16H13N3O2 — CID 52986112

IUPACN-(2-methylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(-c2cccnc2)on1
InChIInChI=1S/C16H13N3O2/c1-11-5-2-3-7-13(11)18-16(20)14-9-15(21-19-14)12-6-4-8-17-10-12/h2-10H,1H3,(H,18,20)
InChIKeyQPPWOLHAELTWFQ-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.30
Rot. Bonds3

About N-(2-methylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

N-(2-methylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 52986112) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(2-methylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID52986112
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-(2-methylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(-c2cccnc2)on1
InChIInChI=1S/C16H13N3O2/c1-11-5-2-3-7-13(11)18-16(20)14-9-15(21-19-14)12-6-4-8-17-10-12/h2-10H,1H3,(H,18,20)
InChIKeyQPPWOLHAELTWFQ-UHFFFAOYSA-N
XLogP3.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-3-pyridinyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 17253103
5-(3,4-dimethylphenyl)-N-(2-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17011665
N,5-bis(2-methylphenyl)-1,2-oxazole-3-carboxamide
CID 52904677
N-(4-anilinophenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 47048043
N-(1,4-dimethyl-2-oxo-3-pyridinyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 139005695
N-[3-(dimethylamino)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 53051794
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 122302827
5-pyridin-3-yl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 55699473
N-[3-methyl-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 119049246
N-[4-(1-phenylethylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 48500589
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 55757393

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-methylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 52986112) is N-(2-methylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is Cc1ccccc1NC(=O)c1cc(-c2cccnc2)on1.
What is the InChIKey of N-(2-methylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is QPPWOLHAELTWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11-5-2-3-7-13(11)18-16(20)14-9-15(21-19-14)12-6-4-8-17-10-12/h2-10H,1H3,(H,18,20).
What are the key properties of N-(2-methylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
N-(2-methylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 52986112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).