1-cyclopentyl-4-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one

C20H24FN3O2 — CID 42345695

IUPAC1-cyclopentyl-4-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one
SMILESCc1oc(-c2cccc(F)c2)nc1CN1CCN(C2CCCC2)C(=O)C1
InChIInChI=1S/C20H24FN3O2/c1-14-18(22-20(26-14)15-5-4-6-16(21)11-15)12-23-9-10-24(19(25)13-23)17-7-2-3-8-17/h4-6,11,17H,2-3,7-10,12-13H2,1H3
InChIKeyABESELPVHXBCTB-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.38
Rot. Bonds4

About 1-cyclopentyl-4-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one

1-cyclopentyl-4-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one (PubChem CID 42345695) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one
PubChem CID42345695
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name1-cyclopentyl-4-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one
SMILESCc1oc(-c2cccc(F)c2)nc1CN1CCN(C2CCCC2)C(=O)C1
InChIInChI=1S/C20H24FN3O2/c1-14-18(22-20(26-14)15-5-4-6-16(21)11-15)12-23-9-10-24(19(25)13-23)17-7-2-3-8-17/h4-6,11,17H,2-3,7-10,12-13H2,1H3
InChIKeyABESELPVHXBCTB-UHFFFAOYSA-N
XLogP3.38
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-cyclopentyl-4-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-cyclohexyl-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one
CID 42455514
4-[[4-(3-chlorophenoxy)piperidin-1-yl]methyl]-2-(3-fluorophenyl)-5-methyl-1,3-oxazole
CID 42415863
9-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56868396
2-(3-chlorophenyl)-4-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53084971
4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one
CID 56760665
2-(3-chlorophenyl)-4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53084970
2-(3,5-difluorophenyl)-5-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole
CID 30956715
5-methyl-4-(pyrrolidin-1-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 56758334
1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 56755911
1-[(3-methoxyphenyl)methyl]-4-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one
CID 25375095
1-(3-methoxyphenyl)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-2-one
CID 29253890
methanol;1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carbaldehyde
CID 162740997

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one?
The IUPAC name of 1-cyclopentyl-4-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one (CID 42345695) is 1-cyclopentyl-4-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one is Cc1oc(-c2cccc(F)c2)nc1CN1CCN(C2CCCC2)C(=O)C1.
What is the InChIKey of 1-cyclopentyl-4-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one?
The InChIKey is ABESELPVHXBCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-14-18(22-20(26-14)15-5-4-6-16(21)11-15)12-23-9-10-24(19(25)13-23)17-7-2-3-8-17/h4-6,11,17H,2-3,7-10,12-13H2,1H3.
What are the key properties of 1-cyclopentyl-4-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one?
1-cyclopentyl-4-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one has a molecular weight of 357.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one is sourced from PubChem (CID 42345695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).