[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone

C23H25N3O4 — CID 71511354

IUPAC[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
SMILESCOc1cc(OC)cc(N2CCN(C(=O)c3oc(C)nc3-c3ccccc3)CC2)c1
InChIInChI=1S/C23H25N3O4/c1-16-24-21(17-7-5-4-6-8-17)22(30-16)23(27)26-11-9-25(10-12-26)18-13-19(28-2)15-20(14-18)29-3/h4-8,13-15H,9-12H2,1-3H3
InChIKeyMCNTVPUKDCPHEL-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.63
Rot. Bonds5

About [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone

[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone (PubChem CID 71511354) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
PubChem CID71511354
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
SMILESCOc1cc(OC)cc(N2CCN(C(=O)c3oc(C)nc3-c3ccccc3)CC2)c1
InChIInChI=1S/C23H25N3O4/c1-16-24-21(17-7-5-4-6-8-17)22(30-16)23(27)26-11-9-25(10-12-26)18-13-19(28-2)15-20(14-18)29-3/h4-8,13-15H,9-12H2,1-3H3
InChIKeyMCNTVPUKDCPHEL-UHFFFAOYSA-N
XLogP3.63
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-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-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone (CID 71511354) is [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone is COc1cc(OC)cc(N2CCN(C(=O)c3oc(C)nc3-c3ccccc3)CC2)c1.
What is the InChIKey of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone?
The InChIKey is MCNTVPUKDCPHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-16-24-21(17-7-5-4-6-8-17)22(30-16)23(27)26-11-9-25(10-12-26)18-13-19(28-2)15-20(14-18)29-3/h4-8,13-15H,9-12H2,1-3H3.
What are the key properties of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone?
[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone has a molecular weight of 407.47 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 71511354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).