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

C12H13N3O2 — CID 110714802

IUPACN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCc1nc(C)c(CNC(=O)c2cccnc2)o1
InChIInChI=1S/C12H13N3O2/c1-8-11(17-9(2)15-8)7-14-12(16)10-4-3-5-13-6-10/h3-6H,7H2,1-2H3,(H,14,16)
InChIKeyMBKZTBQKGHTYJI-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.62
Rot. Bonds3

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

N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-3-carboxamide (PubChem CID 110714802) 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-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-3-carboxamide
PubChem CID110714802
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCc1nc(C)c(CNC(=O)c2cccnc2)o1
InChIInChI=1S/C12H13N3O2/c1-8-11(17-9(2)15-8)7-14-12(16)10-4-3-5-13-6-10/h3-6H,7H2,1-2H3,(H,14,16)
InChIKeyMBKZTBQKGHTYJI-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]-4-fluorobenzamide
CID 110714768
N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]pyridine-3-carboxamide
CID 84513228
3-(dimethylamino)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]benzamide
CID 110742450
N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 175769075
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-2-carboxamide
CID 110742443
N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47290675
N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 86835946
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 1087305
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 3480488
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 110387930

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-3-carboxamide (CID 110714802) is N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-3-carboxamide is Cc1nc(C)c(CNC(=O)c2cccnc2)o1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-3-carboxamide?
The InChIKey is MBKZTBQKGHTYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-11(17-9(2)15-8)7-14-12(16)10-4-3-5-13-6-10/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-3-carboxamide?
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-3-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-3-carboxamide is sourced from PubChem (CID 110714802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).