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

C23H25N3O2 — CID 1247474

IUPAC(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H25N3O2/c1-18-21(22(24-28-18)20-10-6-3-7-11-20)23(27)26-16-14-25(15-17-26)13-12-19-8-4-2-5-9-19/h2-11H,12-17H2,1H3
InChIKeyCGSWRRPVGIBWTF-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.65
Rot. Bonds5

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

(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 1247474) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
PubChem CID1247474
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H25N3O2/c1-18-21(22(24-28-18)20-10-6-3-7-11-20)23(27)26-16-14-25(15-17-26)13-12-19-8-4-2-5-9-19/h2-11H,12-17H2,1H3
InChIKeyCGSWRRPVGIBWTF-UHFFFAOYSA-N
XLogP3.65
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone (CID 1247474) is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone is Cc1onc(-c2ccccc2)c1C(=O)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is CGSWRRPVGIBWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-18-21(22(24-28-18)20-10-6-3-7-11-20)23(27)26-16-14-25(15-17-26)13-12-19-8-4-2-5-9-19/h2-11H,12-17H2,1H3.
What are the key properties of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 375.47 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1247474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).