(2-fluorophenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone

C17H19FN2O2 — CID 92554001

IUPAC(2-fluorophenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
SMILESCc1cc([C@H]2CCCCCN2C(=O)c2ccccc2F)on1
InChIInChI=1S/C17H19FN2O2/c1-12-11-16(22-19-12)15-9-3-2-6-10-20(15)17(21)13-7-4-5-8-14(13)18/h4-5,7-8,11,15H,2-3,6,9-10H2,1H3/t15-/m1/s1
InChIKeyNUTMPMSURFOGQI-OAHLLOKOSA-N
MW302.35 g/mol
LogP3.88
Rot. Bonds2

About (2-fluorophenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone

(2-fluorophenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone (PubChem CID 92554001) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is (2-fluorophenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
PubChem CID92554001
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name(2-fluorophenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
SMILESCc1cc([C@H]2CCCCCN2C(=O)c2ccccc2F)on1
InChIInChI=1S/C17H19FN2O2/c1-12-11-16(22-19-12)15-9-3-2-6-10-20(15)17(21)13-7-4-5-8-14(13)18/h4-5,7-8,11,15H,2-3,6,9-10H2,1H3/t15-/m1/s1
InChIKeyNUTMPMSURFOGQI-OAHLLOKOSA-N
XLogP3.88
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 110225793
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
CID 56920108
[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 91763073
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53017114
[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-fluorophenyl)methanone
CID 53009589
(2-fluorophenyl)-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92731704
furan-2-yl-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731513
[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 110218538
(2,6-dimethoxyphenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731482
(2,3-dichloro-4-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 126840478
(4-chloro-1-methylpyrazol-3-yl)-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
CID 110214496
5-[(2S)-1-[(2-fluorophenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 51584502

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone (CID 92554001) is (2-fluorophenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone is Cc1cc([C@H]2CCCCCN2C(=O)c2ccccc2F)on1.
What is the InChIKey of (2-fluorophenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone?
The InChIKey is NUTMPMSURFOGQI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-12-11-16(22-19-12)15-9-3-2-6-10-20(15)17(21)13-7-4-5-8-14(13)18/h4-5,7-8,11,15H,2-3,6,9-10H2,1H3/t15-/m1/s1.
What are the key properties of (2-fluorophenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone?
(2-fluorophenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone has a molecular weight of 302.35 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone is sourced from PubChem (CID 92554001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).