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

C22H23N3O3 — CID 1094864

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2)cc1
InChIInChI=1S/C22H23N3O3/c1-16-20(21(23-28-16)17-6-4-3-5-7-17)22(26)25-14-12-24(13-15-25)18-8-10-19(27-2)11-9-18/h3-11H,12-15H2,1-2H3
InChIKeyQOEOKUAZHXOIRZ-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.62
Rot. Bonds4

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

[4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (PubChem CID 1094864) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
PubChem CID1094864
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2)cc1
InChIInChI=1S/C22H23N3O3/c1-16-20(21(23-28-16)17-6-4-3-5-7-17)22(26)25-14-12-24(13-15-25)18-8-10-19(27-2)11-9-18/h3-11H,12-15H2,1-2H3
InChIKeyQOEOKUAZHXOIRZ-UHFFFAOYSA-N
XLogP3.62
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (CID 1094864) is [4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is COc1ccc(N2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The InChIKey is QOEOKUAZHXOIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-16-20(21(23-28-16)17-6-4-3-5-7-17)22(26)25-14-12-24(13-15-25)18-8-10-19(27-2)11-9-18/h3-11H,12-15H2,1-2H3.
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone has a molecular weight of 377.44 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 1094864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).