N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-2-carboxamide

C12H13N3O2 — CID 110742443

IUPACN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-2-carboxamide
SMILESCc1nc(C)c(CNC(=O)c2ccccn2)o1
InChIInChI=1S/C12H13N3O2/c1-8-11(17-9(2)15-8)7-14-12(16)10-5-3-4-6-13-10/h3-6H,7H2,1-2H3,(H,14,16)
InChIKeyOEJSXOKAZMOKIS-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.62
Rot. Bonds3

About N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-2-carboxamide

N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-2-carboxamide (PubChem CID 110742443) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-2-carboxamide
PubChem CID110742443
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-2-carboxamide
SMILESCc1nc(C)c(CNC(=O)c2ccccn2)o1
InChIInChI=1S/C12H13N3O2/c1-8-11(17-9(2)15-8)7-14-12(16)10-5-3-4-6-13-10/h3-6H,7H2,1-2H3,(H,14,16)
InChIKeyOEJSXOKAZMOKIS-UHFFFAOYSA-N
XLogP1.62
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-3-carboxamide
CID 110714802
N-(1,2-oxazol-5-ylmethyl)pyridine-2-carboxamide
CID 140748316
2-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]acetamide
CID 110714789
N-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 110793358
N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 110746418
N-[(2-chlorophenyl)methyl]-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide
CID 110680031
N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2-carboxamide
CID 9188441
3-(dimethylamino)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]benzamide
CID 110742450
acetic acid;N-ethylpyridine-2-carboxamide
CID 174901243
N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 47160867
N-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide
CID 110471197
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]pyridine-2-carboxamide
CID 122353929

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-2-carboxamide (CID 110742443) is N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-2-carboxamide is Cc1nc(C)c(CNC(=O)c2ccccn2)o1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-2-carboxamide?
The InChIKey is OEJSXOKAZMOKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-11(17-9(2)15-8)7-14-12(16)10-5-3-4-6-13-10/h3-6H,7H2,1-2H3,(H,14,16).
What are the key properties of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-2-carboxamide?
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-2-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 110742443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).