3-methyl-N-[(2-methyl-3-pyridinyl)methyl]-1,2-oxazole-5-carboxamide

C12H13N3O2 — CID 166246895

IUPAC3-methyl-N-[(2-methyl-3-pyridinyl)methyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCc2cccnc2C)on1
InChIInChI=1S/C12H13N3O2/c1-8-6-11(17-15-8)12(16)14-7-10-4-3-5-13-9(10)2/h3-6H,7H2,1-2H3,(H,14,16)
InChIKeyOWAZCSALQUDZHO-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.62
Rot. Bonds3

About 3-methyl-N-[(2-methyl-3-pyridinyl)methyl]-1,2-oxazole-5-carboxamide

3-methyl-N-[(2-methyl-3-pyridinyl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 166246895) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-methyl-N-[(2-methyl-3-pyridinyl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(2-methyl-3-pyridinyl)methyl]-1,2-oxazole-5-carboxamide
PubChem CID166246895
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name3-methyl-N-[(2-methyl-3-pyridinyl)methyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCc2cccnc2C)on1
InChIInChI=1S/C12H13N3O2/c1-8-6-11(17-15-8)12(16)14-7-10-4-3-5-13-9(10)2/h3-6H,7H2,1-2H3,(H,14,16)
InChIKeyOWAZCSALQUDZHO-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-hydroxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 115598819
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 63311080
N-[[4-(chloromethyl)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 107233243
N-[[3-(chloromethyl)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 113272765
N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 175769075
N-(3-chloro-2-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 103892968
N-[(2-methyl-3-pyridinyl)methyl]-4-propan-2-ylbenzamide
CID 138702079
N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432
3-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 47152765
3-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-5-carboxamide
CID 114618847
3-methyl-N-pentyl-1,2-oxazole-5-carboxamide
CID 137320445
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 99834698

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-methyl-3-pyridinyl)methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[(2-methyl-3-pyridinyl)methyl]-1,2-oxazole-5-carboxamide (CID 166246895) is 3-methyl-N-[(2-methyl-3-pyridinyl)methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[(2-methyl-3-pyridinyl)methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[(2-methyl-3-pyridinyl)methyl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NCc2cccnc2C)on1.
What is the InChIKey of 3-methyl-N-[(2-methyl-3-pyridinyl)methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is OWAZCSALQUDZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-6-11(17-15-8)12(16)14-7-10-4-3-5-13-9(10)2/h3-6H,7H2,1-2H3,(H,14,16).
What are the key properties of 3-methyl-N-[(2-methyl-3-pyridinyl)methyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[(2-methyl-3-pyridinyl)methyl]-1,2-oxazole-5-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 3-methyl-N-[(2-methyl-3-pyridinyl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 166246895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).