4-(4-methylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,3-oxazol-2-one

C22H25N3O2 — CID 3078392

IUPAC4-(4-methylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,3-oxazol-2-one
SMILESCc1ccc(-c2[nH]c(=O)oc2CCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H25N3O2/c1-17-7-9-18(10-8-17)21-20(27-22(26)23-21)11-12-24-13-15-25(16-14-24)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,23,26)
InChIKeyGEIFSAKKUIODBO-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.31
Rot. Bonds5

About 4-(4-methylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,3-oxazol-2-one

4-(4-methylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,3-oxazol-2-one (PubChem CID 3078392) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-(4-methylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-(4-methylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,3-oxazol-2-one
PubChem CID3078392
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-(4-methylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,3-oxazol-2-one
SMILESCc1ccc(-c2[nH]c(=O)oc2CCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H25N3O2/c1-17-7-9-18(10-8-17)21-20(27-22(26)23-21)11-12-24-13-15-25(16-14-24)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,23,26)
InChIKeyGEIFSAKKUIODBO-UHFFFAOYSA-N
XLogP3.31
TPSA52.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-methylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,3-oxazol-2-one 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-(4-methylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,3-oxazol-2-one?
The IUPAC name of 4-(4-methylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,3-oxazol-2-one (CID 3078392) is 4-(4-methylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,3-oxazol-2-one.
What is the SMILES notation for 4-(4-methylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,3-oxazol-2-one?
The canonical SMILES for 4-(4-methylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,3-oxazol-2-one is Cc1ccc(-c2[nH]c(=O)oc2CCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,3-oxazol-2-one?
The InChIKey is GEIFSAKKUIODBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-17-7-9-18(10-8-17)21-20(27-22(26)23-21)11-12-24-13-15-25(16-14-24)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,23,26).
What are the key properties of 4-(4-methylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,3-oxazol-2-one?
4-(4-methylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,3-oxazol-2-one has a molecular weight of 363.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,3-oxazol-2-one is sourced from PubChem (CID 3078392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).