[(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone

C16H19N3O2 — CID 92553808

IUPAC[(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone
SMILESCc1cc([C@H]2CCCCCN2C(=O)c2ccncc2)no1
InChIInChI=1S/C16H19N3O2/c1-12-11-14(18-21-12)15-5-3-2-4-10-19(15)16(20)13-6-8-17-9-7-13/h6-9,11,15H,2-5,10H2,1H3/t15-/m1/s1
InChIKeyQLYHBVKIAIWJJJ-OAHLLOKOSA-N
MW285.35 g/mol
LogP3.14
Rot. Bonds2

About [(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone

[(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone (PubChem CID 92553808) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone
PubChem CID92553808
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone
SMILESCc1cc([C@H]2CCCCCN2C(=O)c2ccncc2)no1
InChIInChI=1S/C16H19N3O2/c1-12-11-14(18-21-12)15-5-3-2-4-10-19(15)16(20)13-6-8-17-9-7-13/h6-9,11,15H,2-5,10H2,1H3/t15-/m1/s1
InChIKeyQLYHBVKIAIWJJJ-OAHLLOKOSA-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

Analyze [(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone with MolForge

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Related Compounds

[2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 110225920
[2-(5-propyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 46953255
[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 110225793
methyl 4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzoate
CID 38349038
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
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
N-tert-butyl-4-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzamide
CID 52513124
[3-(3-hydroxy-3-methylbutyl)phenyl]-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methanone
CID 70725176
(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002544
1,3-dimethyl-6-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
CID 97281647
(2R)-N-cyclohexyl-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070285

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone (CID 92553808) is [(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone is Cc1cc([C@H]2CCCCCN2C(=O)c2ccncc2)no1.
What is the InChIKey of [(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone?
The InChIKey is QLYHBVKIAIWJJJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-11-14(18-21-12)15-5-3-2-4-10-19(15)16(20)13-6-8-17-9-7-13/h6-9,11,15H,2-5,10H2,1H3/t15-/m1/s1.
What are the key properties of [(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone?
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-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 [(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 92553808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).