(4-cyclohexylpiperazin-1-yl)-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone

C23H29N3O2 — CID 90503309

IUPAC(4-cyclohexylpiperazin-1-yl)-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone
SMILESO=C(N1CCN(C2CCCCC2)CC1)C1(c2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C23H29N3O2/c27-22(26-15-13-25(14-16-26)19-9-5-2-6-10-19)23(11-12-23)21-17-20(28-24-21)18-7-3-1-4-8-18/h1,3-4,7-8,17,19H,2,5-6,9-16H2
InChIKeyCHOKTPVAPAMMNA-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.85
Rot. Bonds4

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

(4-cyclohexylpiperazin-1-yl)-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone (PubChem CID 90503309) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone
PubChem CID90503309
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name(4-cyclohexylpiperazin-1-yl)-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone
SMILESO=C(N1CCN(C2CCCCC2)CC1)C1(c2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C23H29N3O2/c27-22(26-15-13-25(14-16-26)19-9-5-2-6-10-19)23(11-12-23)21-17-20(28-24-21)18-7-3-1-4-8-18/h1,3-4,7-8,17,19H,2,5-6,9-16H2
InChIKeyCHOKTPVAPAMMNA-UHFFFAOYSA-N
XLogP3.85
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyclohexylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90503909
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone
CID 90503094
azepan-1-yl-[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90504286
[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 90503693
1-[4-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 90503872
(4-benzylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90503696
(4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone
CID 90502501
[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropyl]-(4-benzylpiperidin-1-yl)methanone
CID 90504581
[4-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 90503603
[1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 90503978
[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 90503702
(4-benzylpiperazin-1-yl)-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90503396

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone (CID 90503309) is (4-cyclohexylpiperazin-1-yl)-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone is O=C(N1CCN(C2CCCCC2)CC1)C1(c2cc(-c3ccccc3)on2)CC1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone?
The InChIKey is CHOKTPVAPAMMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-22(26-15-13-25(14-16-26)19-9-5-2-6-10-19)23(11-12-23)21-17-20(28-24-21)18-7-3-1-4-8-18/h1,3-4,7-8,17,19H,2,5-6,9-16H2.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone?
(4-cyclohexylpiperazin-1-yl)-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone has a molecular weight of 379.50 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone is sourced from PubChem (CID 90503309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).