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

C25H27N3O3 — CID 90503696

IUPAC(4-benzylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
SMILESCOc1cccc(-c2cc(C3(C(=O)N4CCN(Cc5ccccc5)CC4)CC3)no2)c1
InChIInChI=1S/C25H27N3O3/c1-30-21-9-5-8-20(16-21)22-17-23(26-31-22)25(10-11-25)24(29)28-14-12-27(13-15-28)18-19-6-3-2-4-7-19/h2-9,16-17H,10-15,18H2,1H3
InChIKeyNYOYRSBTMQZNIJ-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.73
Rot. Bonds6

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

(4-benzylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone (PubChem CID 90503696) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
PubChem CID90503696
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name(4-benzylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
SMILESCOc1cccc(-c2cc(C3(C(=O)N4CCN(Cc5ccccc5)CC4)CC3)no2)c1
InChIInChI=1S/C25H27N3O3/c1-30-21-9-5-8-20(16-21)22-17-23(26-31-22)25(10-11-25)24(29)28-14-12-27(13-15-28)18-19-6-3-2-4-7-19/h2-9,16-17H,10-15,18H2,1H3
InChIKeyNYOYRSBTMQZNIJ-UHFFFAOYSA-N
XLogP3.73
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 90503914
1-[4-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 90503872
[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 90503693
[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 90503702
(4-cyclohexylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90503909
(4-benzylpiperazin-1-yl)-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90503396
N-benzyl-N-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90503672
[1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 90504194
[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
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 90503716
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-oxothiolan-3-yl)cyclopropane-1-carboxamide
CID 90503904

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone (CID 90503696) is (4-benzylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone is COc1cccc(-c2cc(C3(C(=O)N4CCN(Cc5ccccc5)CC4)CC3)no2)c1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone?
The InChIKey is NYOYRSBTMQZNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-30-21-9-5-8-20(16-21)22-17-23(26-31-22)25(10-11-25)24(29)28-14-12-27(13-15-28)18-19-6-3-2-4-7-19/h2-9,16-17H,10-15,18H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone?
(4-benzylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone has a molecular weight of 417.51 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone is sourced from PubChem (CID 90503696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).