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

C18H23N3O2 — CID 46953255

IUPAC[2-(5-propyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone
SMILESCCCc1cc(C2CCCCCN2C(=O)c2ccncc2)no1
InChIInChI=1S/C18H23N3O2/c1-2-6-15-13-16(20-23-15)17-7-4-3-5-12-21(17)18(22)14-8-10-19-11-9-14/h8-11,13,17H,2-7,12H2,1H3
InChIKeyNFCLPOZZIUWSJP-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.78
Rot. Bonds4

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

[2-(5-propyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone (PubChem CID 46953255) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [2-(5-propyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[2-(5-propyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone
PubChem CID46953255
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name[2-(5-propyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone
SMILESCCCc1cc(C2CCCCCN2C(=O)c2ccncc2)no1
InChIInChI=1S/C18H23N3O2/c1-2-6-15-13-16(20-23-15)17-7-4-3-5-12-21(17)18(22)14-8-10-19-11-9-14/h8-11,13,17H,2-7,12H2,1H3
InChIKeyNFCLPOZZIUWSJP-UHFFFAOYSA-N
XLogP3.78
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.78
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
(2-methylpyrazol-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 22586742
(2R)-N-cyclohexyl-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070289
[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 110225793
(3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92731798
(4-chloro-1-methylpyrazol-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 22586726
[(2S)-2-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 92719861
[2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 110225920
3-phenyl-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 22586744
(2S)-N-(3,4-dimethylphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95079639
[(2S)-2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 95802256
[(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 92590513

Frequently Asked Questions

What is the IUPAC name of [2-(5-propyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [2-(5-propyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone (CID 46953255) is [2-(5-propyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [2-(5-propyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [2-(5-propyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone is CCCc1cc(C2CCCCCN2C(=O)c2ccncc2)no1.
What is the InChIKey of [2-(5-propyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone?
The InChIKey is NFCLPOZZIUWSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-6-15-13-16(20-23-15)17-7-4-3-5-12-21(17)18(22)14-8-10-19-11-9-14/h8-11,13,17H,2-7,12H2,1H3.
What are the key properties of [2-(5-propyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone?
[2-(5-propyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone has a molecular weight of 313.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-propyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 46953255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).