(4-benzylpiperazin-1-yl)-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone

C24H24FN3O2 — CID 90503396

IUPAC(4-benzylpiperazin-1-yl)-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
SMILESO=C(N1CCN(Cc2ccccc2)CC1)C1(c2cc(-c3ccccc3F)on2)CC1
InChIInChI=1S/C24H24FN3O2/c25-20-9-5-4-8-19(20)21-16-22(26-30-21)24(10-11-24)23(29)28-14-12-27(13-15-28)17-18-6-2-1-3-7-18/h1-9,16H,10-15,17H2
InChIKeyPCMRJMRDWBCWMZ-UHFFFAOYSA-N
MW405.47 g/mol
LogP3.86
Rot. Bonds5

About (4-benzylpiperazin-1-yl)-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone

(4-benzylpiperazin-1-yl)-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone (PubChem CID 90503396) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
PubChem CID90503396
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name(4-benzylpiperazin-1-yl)-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
SMILESO=C(N1CCN(Cc2ccccc2)CC1)C1(c2cc(-c3ccccc3F)on2)CC1
InChIInChI=1S/C24H24FN3O2/c25-20-9-5-4-8-19(20)21-16-22(26-30-21)24(10-11-24)23(29)28-14-12-27(13-15-28)17-18-6-2-1-3-7-18/h1-9,16H,10-15,17H2
InChIKeyPCMRJMRDWBCWMZ-UHFFFAOYSA-N
XLogP3.86
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 90503589
(4-benzylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90503696
[4-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 90503603
[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 90503585
1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-methyl-N-phenylcyclopropane-1-carboxamide
CID 90503457
[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 90503914
(4-benzyl-1,4-diazepan-1-yl)-[5-(2-fluorophenyl)furan-2-yl]methanone
CID 18157493
(4-benzylpiperazin-1-yl)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 110392272
(4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone
CID 90502501
1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(1H-indazol-6-yl)cyclopropane-1-carboxamide
CID 90503646
N-(4-cyanophenyl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90503631
azepan-1-yl-[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90504286

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone (CID 90503396) is (4-benzylpiperazin-1-yl)-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone is O=C(N1CCN(Cc2ccccc2)CC1)C1(c2cc(-c3ccccc3F)on2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone?
The InChIKey is PCMRJMRDWBCWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c25-20-9-5-4-8-19(20)21-16-22(26-30-21)24(10-11-24)23(29)28-14-12-27(13-15-28)17-18-6-2-1-3-7-18/h1-9,16H,10-15,17H2.
What are the key properties of (4-benzylpiperazin-1-yl)-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone?
(4-benzylpiperazin-1-yl)-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone has a molecular weight of 405.47 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone is sourced from PubChem (CID 90503396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).