1-[6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-pyridinyl]ethanone

C12H13N3O2 — CID 99837168

IUPAC1-[6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(NCc2ncc(C)o2)nc1
InChIInChI=1S/C12H13N3O2/c1-8-5-15-12(17-8)7-14-11-4-3-10(6-13-11)9(2)16/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyDTIRQEJXXLEBLE-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.19
Rot. Bonds4

About 1-[6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-pyridinyl]ethanone

1-[6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-pyridinyl]ethanone (PubChem CID 99837168) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-[6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-pyridinyl]ethanone
PubChem CID99837168
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name1-[6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(NCc2ncc(C)o2)nc1
InChIInChI=1S/C12H13N3O2/c1-8-5-15-12(17-8)7-14-11-4-3-10(6-13-11)9(2)16/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyDTIRQEJXXLEBLE-UHFFFAOYSA-N
XLogP2.19
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Benzyl-2-oxo-1,2-dihydro-pyridine-4-carboxylic acid (2-oxazol-2-yl-4-oxo-1-phenyl-1,4-dihydro-[1,8]naphthyridin-3-ylmethyl)-amide
CID 71217332
N-(5-phenyl-2-pyridinyl)-1,3-oxazole-5-carboxamide
CID 137655904
N-[1-(3-Methoxypyrazin-2-YL)pyrrolidin-3-YL]pyridine-3-carboxamide
CID 53185597
N-(5-acetyl-2-pyridinyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 75392647
6-(cyclopropylamino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carboxamide
CID 75462183
N-[[(3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methyl]-5-methylpyridin-2-amine
CID 95137661
5-fluoro-N-(5-methyl-1,3-oxazol-2-yl)pyridine-3-carboxamide
CID 132296284
N-[5-[2-(oxan-4-yl)-1,3-oxazol-5-yl]-2-pyridinyl]acetamide
CID 136570446
2,2,2-trifluoro-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]acetamide
CID 89381839
5-methyl-N-[4-(trifluoromethyl)pyridine-3-carbonyl]-1,3-oxazole-2-carboxamide
CID 89794118
N-(1,3-oxazol-4-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 140008138
N-(5-methyl-1,3-oxazol-4-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 140008155

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-pyridinyl]ethanone (CID 99837168) is 1-[6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-pyridinyl]ethanone is CC(=O)c1ccc(NCc2ncc(C)o2)nc1.
What is the InChIKey of 1-[6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-pyridinyl]ethanone?
The InChIKey is DTIRQEJXXLEBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-5-15-12(17-8)7-14-11-4-3-10(6-13-11)9(2)16/h3-6H,7H2,1-2H3,(H,13,14).
What are the key properties of 1-[6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-pyridinyl]ethanone?
1-[6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-pyridinyl]ethanone has a molecular weight of 231.25 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-pyridinyl]ethanone is sourced from PubChem (CID 99837168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).