[4-(2,6-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone

C23H25N3O2 — CID 71511262

IUPAC[4-(2,6-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(-c2ccccc2)c(C(=O)N2CCN(c3c(C)cccc3C)CC2)o1
InChIInChI=1S/C23H25N3O2/c1-16-8-7-9-17(2)21(16)25-12-14-26(15-13-25)23(27)22-20(24-18(3)28-22)19-10-5-4-6-11-19/h4-11H,12-15H2,1-3H3
InChIKeyAMWHDMDFYIRNNN-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.23
Rot. Bonds3

About [4-(2,6-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone

[4-(2,6-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone (PubChem CID 71511262) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is [4-(2,6-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2,6-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
PubChem CID71511262
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name[4-(2,6-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(-c2ccccc2)c(C(=O)N2CCN(c3c(C)cccc3C)CC2)o1
InChIInChI=1S/C23H25N3O2/c1-16-8-7-9-17(2)21(16)25-12-14-26(15-13-25)23(27)22-20(24-18(3)28-22)19-10-5-4-6-11-19/h4-11H,12-15H2,1-3H3
InChIKeyAMWHDMDFYIRNNN-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

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Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [4-(2,6-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone (CID 71511262) is [4-(2,6-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(2,6-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [4-(2,6-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone is Cc1nc(-c2ccccc2)c(C(=O)N2CCN(c3c(C)cccc3C)CC2)o1.
What is the InChIKey of [4-(2,6-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone?
The InChIKey is AMWHDMDFYIRNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-8-7-9-17(2)21(16)25-12-14-26(15-13-25)23(27)22-20(24-18(3)28-22)19-10-5-4-6-11-19/h4-11H,12-15H2,1-3H3.
What are the key properties of [4-(2,6-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone?
[4-(2,6-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-(2,6-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 71511262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).