3-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]-1,3-oxazinan-2-one

C21H24FN3O3 — CID 158095926

IUPAC3-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]-1,3-oxazinan-2-one
SMILESO=C(Cc1ccn(-c2ccccc2F)n1)C1CCC(N2CCCOC2=O)CC1
InChIInChI=1S/C21H24FN3O3/c22-18-4-1-2-5-19(18)25-12-10-16(23-25)14-20(26)15-6-8-17(9-7-15)24-11-3-13-28-21(24)27/h1-2,4-5,10,12,15,17H,3,6-9,11,13-14H2
InChIKeyFOQUSVIQTNSUHN-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.52
Rot. Bonds5

About 3-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]-1,3-oxazinan-2-one

3-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]-1,3-oxazinan-2-one (PubChem CID 158095926) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 3-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]-1,3-oxazinan-2-one
PubChem CID158095926
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name3-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]-1,3-oxazinan-2-one
SMILESO=C(Cc1ccn(-c2ccccc2F)n1)C1CCC(N2CCCOC2=O)CC1
InChIInChI=1S/C21H24FN3O3/c22-18-4-1-2-5-19(18)25-12-10-16(23-25)14-20(26)15-6-8-17(9-7-15)24-11-3-13-28-21(24)27/h1-2,4-5,10,12,15,17H,3,6-9,11,13-14H2
InChIKeyFOQUSVIQTNSUHN-UHFFFAOYSA-N
XLogP3.52
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]-1,3-oxazinan-2-one with MolForge

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Related Compounds

N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazinan-3-yl)cyclohexane-1-carboxamide
CID 46913607
2-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]-1-quinolin-2-ylethanone
CID 58034000
N'-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]cyclopropanecarbohydrazide
CID 171823053
1-(2-chloro-4-pyridinyl)-2-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]ethanone
CID 58034040
3-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid
CID 66032181
1-cyclopropyl-2-(1-methylpyrazol-3-yl)ethanone
CID 82869983
[(3S)-3-aminopyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 124574217
2-[(2S)-4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
CID 129415546
[1-(2-fluorophenyl)pyrazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487860
1-(2-fluorophenyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrazole-3-carboxamide
CID 55868469
3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one
CID 110854608
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 124689358

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]-1,3-oxazinan-2-one?
The IUPAC name of 3-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]-1,3-oxazinan-2-one (CID 158095926) is 3-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]-1,3-oxazinan-2-one is O=C(Cc1ccn(-c2ccccc2F)n1)C1CCC(N2CCCOC2=O)CC1.
What is the InChIKey of 3-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]-1,3-oxazinan-2-one?
The InChIKey is FOQUSVIQTNSUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c22-18-4-1-2-5-19(18)25-12-10-16(23-25)14-20(26)15-6-8-17(9-7-15)24-11-3-13-28-21(24)27/h1-2,4-5,10,12,15,17H,3,6-9,11,13-14H2.
What are the key properties of 3-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]-1,3-oxazinan-2-one?
3-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]-1,3-oxazinan-2-one has a molecular weight of 385.44 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 158095926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).