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

C24H31N3O3 — CID 90503909

IUPAC(4-cyclohexylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
SMILESCOc1cccc(-c2cc(C3(C(=O)N4CCN(C5CCCCC5)CC4)CC3)no2)c1
InChIInChI=1S/C24H31N3O3/c1-29-20-9-5-6-18(16-20)21-17-22(25-30-21)24(10-11-24)23(28)27-14-12-26(13-15-27)19-7-3-2-4-8-19/h5-6,9,16-17,19H,2-4,7-8,10-15H2,1H3
InChIKeyIUJUODMGDIQSSZ-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.86
Rot. Bonds5

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

(4-cyclohexylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone (PubChem CID 90503909) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
PubChem CID90503909
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name(4-cyclohexylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
SMILESCOc1cccc(-c2cc(C3(C(=O)N4CCN(C5CCCCC5)CC4)CC3)no2)c1
InChIInChI=1S/C24H31N3O3/c1-29-20-9-5-6-18(16-20)21-17-22(25-30-21)24(10-11-24)23(28)27-14-12-26(13-15-27)19-7-3-2-4-8-19/h5-6,9,16-17,19H,2-4,7-8,10-15H2,1H3
InChIKeyIUJUODMGDIQSSZ-UHFFFAOYSA-N
XLogP3.86
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-cyclohexylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone with MolForge

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Related Compounds

1-[4-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 90503872
(4-cyclohexylpiperazin-1-yl)-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone
CID 90503309
[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 90503693
(4-benzylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90503696
[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 90503702
N-cyclohexyl-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90503730
[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 90503914
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-oxothiolan-3-yl)cyclopropane-1-carboxamide
CID 90503904
[1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 90503978
[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 90503585
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 90503710
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone (CID 90503909) is (4-cyclohexylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone is COc1cccc(-c2cc(C3(C(=O)N4CCN(C5CCCCC5)CC4)CC3)no2)c1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone?
The InChIKey is IUJUODMGDIQSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-29-20-9-5-6-18(16-20)21-17-22(25-30-21)24(10-11-24)23(28)27-14-12-26(13-15-27)19-7-3-2-4-8-19/h5-6,9,16-17,19H,2-4,7-8,10-15H2,1H3.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone?
(4-cyclohexylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone has a molecular weight of 409.53 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone is sourced from PubChem (CID 90503909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).