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

C16H19N3O2 — CID 110225793

IUPAC[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]-pyridin-4-ylmethanone
SMILESCc1cc(C2CCCCCN2C(=O)c2ccncc2)on1
InChIInChI=1S/C16H19N3O2/c1-12-11-15(21-18-12)14-5-3-2-4-10-19(14)16(20)13-6-8-17-9-7-13/h6-9,11,14H,2-5,10H2,1H3
InChIKeyGQVSGBUNIOSQFH-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.14
Rot. Bonds2

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

[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]-pyridin-4-ylmethanone (PubChem CID 110225793) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]-pyridin-4-ylmethanone
PubChem CID110225793
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]-pyridin-4-ylmethanone
SMILESCc1cc(C2CCCCCN2C(=O)c2ccncc2)on1
InChIInChI=1S/C16H19N3O2/c1-12-11-15(21-18-12)14-5-3-2-4-10-19(14)16(20)13-6-8-17-9-7-13/h6-9,11,14H,2-5,10H2,1H3
InChIKeyGQVSGBUNIOSQFH-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
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
CID 56920108
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53017114
(2-fluorophenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
CID 92554001
[(2S)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 92554308
[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 92554309
(6-bromo-3-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 66465090
[2-(5-propyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 46953255
(3-amino-4-bromophenyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 61109953
[3-(3-fluoro-4-pyridinyl)phenyl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 118784040
(4-chloro-1-methylpyrazol-3-yl)-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
CID 110214496
1-benzothiophen-5-yl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 70759416

Frequently Asked Questions

What is the IUPAC name of [2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]-pyridin-4-ylmethanone (CID 110225793) is [2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]-pyridin-4-ylmethanone is Cc1cc(C2CCCCCN2C(=O)c2ccncc2)on1.
What is the InChIKey of [2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]-pyridin-4-ylmethanone?
The InChIKey is GQVSGBUNIOSQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-11-15(21-18-12)14-5-3-2-4-10-19(14)16(20)13-6-8-17-9-7-13/h6-9,11,14H,2-5,10H2,1H3.
What are the key properties of [2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]-pyridin-4-ylmethanone?
[2-(3-methyl-1,2-oxazol-5-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 [2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 110225793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).