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

C23H25N3O2 — CID 71511266

IUPAC[4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(-c2ccccc2)c(C(=O)N2CCN(c3ccc(C)c(C)c3)CC2)o1
InChIInChI=1S/C23H25N3O2/c1-16-9-10-20(15-17(16)2)25-11-13-26(14-12-25)23(27)22-21(24-18(3)28-22)19-7-5-4-6-8-19/h4-10,15H,11-14H2,1-3H3
InChIKeyMSYFWLGNLNYBJZ-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.23
Rot. Bonds3

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

[4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone (PubChem CID 71511266) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is [4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
PubChem CID71511266
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name[4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(-c2ccccc2)c(C(=O)N2CCN(c3ccc(C)c(C)c3)CC2)o1
InChIInChI=1S/C23H25N3O2/c1-16-9-10-20(15-17(16)2)25-11-13-26(14-12-25)23(27)22-21(24-18(3)28-22)19-7-5-4-6-8-19/h4-10,15H,11-14H2,1-3H3
InChIKeyMSYFWLGNLNYBJZ-UHFFFAOYSA-N
XLogP4.23
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone (CID 71511266) is [4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone is Cc1nc(-c2ccccc2)c(C(=O)N2CCN(c3ccc(C)c(C)c3)CC2)o1.
What is the InChIKey of [4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone?
The InChIKey is MSYFWLGNLNYBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-9-10-20(15-17(16)2)25-11-13-26(14-12-25)23(27)22-21(24-18(3)28-22)19-7-5-4-6-8-19/h4-10,15H,11-14H2,1-3H3.
What are the key properties of [4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone?
[4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone has a molecular weight of 375.47 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 71511266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).