[2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone

C16H19N3O2 — CID 110225920

IUPAC[2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
SMILESCc1cc(C2CCCCCN2C(=O)c2cccnc2)no1
InChIInChI=1S/C16H19N3O2/c1-12-10-14(18-21-12)15-7-3-2-4-9-19(15)16(20)13-6-5-8-17-11-13/h5-6,8,10-11,15H,2-4,7,9H2,1H3
InChIKeyYOMPLJBLZJWQBR-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.14
Rot. Bonds2

About [2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone

[2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone (PubChem CID 110225920) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
PubChem CID110225920
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
SMILESCc1cc(C2CCCCCN2C(=O)c2cccnc2)no1
InChIInChI=1S/C16H19N3O2/c1-12-10-14(18-21-12)15-7-3-2-4-9-19(15)16(20)13-6-5-8-17-11-13/h5-6,8,10-11,15H,2-4,7,9H2,1H3
InChIKeyYOMPLJBLZJWQBR-UHFFFAOYSA-N
XLogP3.14
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 92553808
[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 97345408
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
[2-(1-methylpyrazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 110225788
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
[3-(3-hydroxy-3-methylbutyl)phenyl]-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methanone
CID 70725176
[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 75475057
5-methyl-3-[1-(pyridin-3-ylmethyl)azepan-2-yl]-1,2-oxazole
CID 110225930
(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002544
methyl 4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzoate
CID 38349038
[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 97142527

Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone (CID 110225920) is [2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone is Cc1cc(C2CCCCCN2C(=O)c2cccnc2)no1.
What is the InChIKey of [2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone?
The InChIKey is YOMPLJBLZJWQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-10-14(18-21-12)15-7-3-2-4-9-19(15)16(20)13-6-5-8-17-11-13/h5-6,8,10-11,15H,2-4,7,9H2,1H3.
What are the key properties of [2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone?
[2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone has a molecular weight of 285.35 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 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)azepan-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 110225920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).