N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide

C11H11N3O2 — CID 144967801

IUPACN-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(CNC(=O)c2ccon2)ccn1
InChIInChI=1S/C11H11N3O2/c1-8-6-9(2-4-12-8)7-13-11(15)10-3-5-16-14-10/h2-6H,7H2,1H3,(H,13,15)
InChIKeyKZXKRBAXLJOIHQ-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.31
Rot. Bonds3

About N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide

N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 144967801) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID144967801
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC NameN-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(CNC(=O)c2ccon2)ccn1
InChIInChI=1S/C11H11N3O2/c1-8-6-9(2-4-12-8)7-13-11(15)10-3-5-16-14-10/h2-6H,7H2,1H3,(H,13,15)
InChIKeyKZXKRBAXLJOIHQ-UHFFFAOYSA-N
XLogP1.31
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-4-pyridinyl)methylcarbamic acid
CID 89157251
N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 110693720
N-[(3-cyanophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 55037800
N-(chloromethyl)-1,2-oxazole-3-carboxamide
CID 91516447
N-[[4-(2-aminoethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 62502313
(E)-N-[(2-methyl-4-pyridinyl)methyl]but-2-enamide
CID 131243847
N-[(4-phenoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 60618920
N-[2-(methylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 62659468
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 76939190
N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 110693766
N-[(2-methyl-4-pyridinyl)methyl]-3-pyridin-3-ylpropanamide
CID 131936779
5-[[4-methyl-6-[[(1R)-1-phenylethyl]amino]pyrimidin-2-yl]oxymethyl]-N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 118550303

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide (CID 144967801) is N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide is Cc1cc(CNC(=O)c2ccon2)ccn1.
What is the InChIKey of N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is KZXKRBAXLJOIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-8-6-9(2-4-12-8)7-13-11(15)10-3-5-16-14-10/h2-6H,7H2,1H3,(H,13,15).
What are the key properties of N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide?
N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 144967801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).