2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide

C12H13N3O2 — CID 110410763

IUPAC2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1cc(CC(=O)NCc2ccncc2)no1
InChIInChI=1S/C12H13N3O2/c1-9-6-11(15-17-9)7-12(16)14-8-10-2-4-13-5-3-10/h2-6H,7-8H2,1H3,(H,14,16)
InChIKeyWTVTYGFCTVHDEH-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.24
Rot. Bonds4

About 2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide

2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 110410763) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID110410763
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1cc(CC(=O)NCc2ccncc2)no1
InChIInChI=1S/C12H13N3O2/c1-9-6-11(15-17-9)7-12(16)14-8-10-2-4-13-5-3-10/h2-6H,7-8H2,1H3,(H,14,16)
InChIKeyWTVTYGFCTVHDEH-UHFFFAOYSA-N
XLogP1.24
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110410345
N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylacetamide
CID 110697404
N-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 71866828
2-(5-methyl-1,2-oxazol-3-yl)-N-[4-(4-methylphenyl)butyl]acetamide
CID 110627918
4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213382
N-benzyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide
CID 95326812
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191596
2-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)acetamide
CID 110417275
3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 4634724
3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 47728425
N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108945355
N-(3,4-difluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110428961

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide (CID 110410763) is 2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide is Cc1cc(CC(=O)NCc2ccncc2)no1.
What is the InChIKey of 2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is WTVTYGFCTVHDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-9-6-11(15-17-9)7-12(16)14-8-10-2-4-13-5-3-10/h2-6H,7-8H2,1H3,(H,14,16).
What are the key properties of 2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 231.26 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 110410763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).