[1-(3-fluorophenyl)cyclopentyl]-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone

C26H29FN4O2 — CID 55617579

IUPAC[1-(3-fluorophenyl)cyclopentyl]-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCc1ccccc1-c1noc(CN2CCN(C(=O)C3(c4cccc(F)c4)CCCC3)CC2)n1
InChIInChI=1S/C26H29FN4O2/c1-19-7-2-3-10-22(19)24-28-23(33-29-24)18-30-13-15-31(16-14-30)25(32)26(11-4-5-12-26)20-8-6-9-21(27)17-20/h2-3,6-10,17H,4-5,11-16,18H2,1H3
InChIKeyYNVAVLROITUCGN-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.34
Rot. Bonds5

About [1-(3-fluorophenyl)cyclopentyl]-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone

[1-(3-fluorophenyl)cyclopentyl]-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone (PubChem CID 55617579) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is [1-(3-fluorophenyl)cyclopentyl]-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-fluorophenyl)cyclopentyl]-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
PubChem CID55617579
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC Name[1-(3-fluorophenyl)cyclopentyl]-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCc1ccccc1-c1noc(CN2CCN(C(=O)C3(c4cccc(F)c4)CCCC3)CC2)n1
InChIInChI=1S/C26H29FN4O2/c1-19-7-2-3-10-22(19)24-28-23(33-29-24)18-30-13-15-31(16-14-30)25(32)26(11-4-5-12-26)20-8-6-9-21(27)17-20/h2-3,6-10,17H,4-5,11-16,18H2,1H3
InChIKeyYNVAVLROITUCGN-UHFFFAOYSA-N
XLogP4.34
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-iodophenyl)-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 39586517
[1-(3-fluorophenyl)cyclopentyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 55339053
4,5-dimethyl-2-[[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]phenol
CID 46443595
1-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenoxyethanone
CID 37088185
methyl 2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetate
CID 34552390
[1-(3-fluorophenyl)cyclobutyl]-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95606984
[1-(3-fluorophenyl)cyclopentyl]-morpholin-4-ylmethanone
CID 112762933
[1-(3-fluorophenyl)cyclobutyl]-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
CID 55678132
3-(2,5-dimethoxyphenyl)-1-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one
CID 37091333
methyl 2-[3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]sulfanylacetate
CID 56568035
3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 55853352
(4-phenyloxan-4-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 55678412

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)cyclopentyl]-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of [1-(3-fluorophenyl)cyclopentyl]-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone (CID 55617579) is [1-(3-fluorophenyl)cyclopentyl]-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [1-(3-fluorophenyl)cyclopentyl]-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for [1-(3-fluorophenyl)cyclopentyl]-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone is Cc1ccccc1-c1noc(CN2CCN(C(=O)C3(c4cccc(F)c4)CCCC3)CC2)n1.
What is the InChIKey of [1-(3-fluorophenyl)cyclopentyl]-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is YNVAVLROITUCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c1-19-7-2-3-10-22(19)24-28-23(33-29-24)18-30-13-15-31(16-14-30)25(32)26(11-4-5-12-26)20-8-6-9-21(27)17-20/h2-3,6-10,17H,4-5,11-16,18H2,1H3.
What are the key properties of [1-(3-fluorophenyl)cyclopentyl]-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
[1-(3-fluorophenyl)cyclopentyl]-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 448.54 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)cyclopentyl]-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55617579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).