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

C11H11N3O2 — CID 144967791

IUPAC4-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(Cc2conc2C(N)=O)ccn1
InChIInChI=1S/C11H11N3O2/c1-7-4-8(2-3-13-7)5-9-6-16-14-10(9)11(12)15/h2-4,6H,5H2,1H3,(H2,12,15)
InChIKeyAWKFRTGFLHDVOU-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.07
Rot. Bonds3

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

4-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 144967791) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID144967791
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name4-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(Cc2conc2C(N)=O)ccn1
InChIInChI=1S/C11H11N3O2/c1-7-4-8(2-3-13-7)5-9-6-16-14-10(9)11(12)15/h2-4,6H,5H2,1H3,(H2,12,15)
InChIKeyAWKFRTGFLHDVOU-UHFFFAOYSA-N
XLogP1.07
TPSA82.01 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 ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide (CID 144967791) is 4-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide is Cc1cc(Cc2conc2C(N)=O)ccn1.
What is the InChIKey of 4-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is AWKFRTGFLHDVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7-4-8(2-3-13-7)5-9-6-16-14-10(9)11(12)15/h2-4,6H,5H2,1H3,(H2,12,15).
What are the key properties of 4-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide?
4-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 144967791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).