[4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone

C25H23N3O3 — CID 9034187

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccc3noc(-c4ccccc4)c3c2)CC1
InChIInChI=1S/C25H23N3O3/c1-30-23-10-6-5-9-22(23)27-13-15-28(16-14-27)25(29)19-11-12-21-20(17-19)24(31-26-21)18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3
InChIKeyGEDNRKDKKROBIR-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.47
Rot. Bonds4

About [4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone (PubChem CID 9034187) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
PubChem CID9034187
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccc3noc(-c4ccccc4)c3c2)CC1
InChIInChI=1S/C25H23N3O3/c1-30-23-10-6-5-9-22(23)27-13-15-28(16-14-27)25(29)19-11-12-21-20(17-19)24(31-26-21)18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3
InChIKeyGEDNRKDKKROBIR-UHFFFAOYSA-N
XLogP4.47
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone (CID 9034187) is [4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone is COc1ccccc1N1CCN(C(=O)c2ccc3noc(-c4ccccc4)c3c2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone?
The InChIKey is GEDNRKDKKROBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-30-23-10-6-5-9-22(23)27-13-15-28(16-14-27)25(29)19-11-12-21-20(17-19)24(31-26-21)18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone has a molecular weight of 413.48 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone is sourced from PubChem (CID 9034187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).