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

C20H25FN2O2 — CID 91839043

IUPAC[2-(3-fluorophenyl)azepan-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCCCCC2c2cccc(F)c2)no1
InChIInChI=1S/C20H25FN2O2/c1-14(2)11-17-13-18(22-25-17)20(24)23-10-5-3-4-9-19(23)15-7-6-8-16(21)12-15/h6-8,12-14,19H,3-5,9-11H2,1-2H3
InChIKeyNUHJHZIQCNUDPQ-UHFFFAOYSA-N
MW344.43 g/mol
LogP4.77
Rot. Bonds4

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

[2-(3-fluorophenyl)azepan-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone (PubChem CID 91839043) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is [2-(3-fluorophenyl)azepan-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[2-(3-fluorophenyl)azepan-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone
PubChem CID91839043
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name[2-(3-fluorophenyl)azepan-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCCCCC2c2cccc(F)c2)no1
InChIInChI=1S/C20H25FN2O2/c1-14(2)11-17-13-18(22-25-17)20(24)23-10-5-3-4-9-19(23)15-7-6-8-16(21)12-15/h6-8,12-14,19H,3-5,9-11H2,1-2H3
InChIKeyNUHJHZIQCNUDPQ-UHFFFAOYSA-N
XLogP4.77
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2-methylpropyl)-1,2-oxazol-3-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 95128403
[5-(2-methylpropyl)-1,2-oxazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 50964981
[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 51855646
[2-(3-fluorophenyl)azepan-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
CID 91838120
5-[(2R)-1-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 95136572
5-[(2S)-1-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 95136573
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 46266463
(1-ethylpyrazol-3-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747092
2-(3-fluorophenyl)piperidine-1-carboxamide
CID 141445896
[2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 70739283
[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 124751149
[2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-(3-fluorophenyl)azepan-1-yl]methanone
CID 97120165

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)azepan-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of [2-(3-fluorophenyl)azepan-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone (CID 91839043) is [2-(3-fluorophenyl)azepan-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [2-(3-fluorophenyl)azepan-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [2-(3-fluorophenyl)azepan-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone is CC(C)Cc1cc(C(=O)N2CCCCCC2c2cccc(F)c2)no1.
What is the InChIKey of [2-(3-fluorophenyl)azepan-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is NUHJHZIQCNUDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-14(2)11-17-13-18(22-25-17)20(24)23-10-5-3-4-9-19(23)15-7-6-8-16(21)12-15/h6-8,12-14,19H,3-5,9-11H2,1-2H3.
What are the key properties of [2-(3-fluorophenyl)azepan-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone?
[2-(3-fluorophenyl)azepan-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 344.43 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)azepan-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 91839043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).