(2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone

C21H21N3O2 — CID 71511264

IUPAC(2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1nc(-c2ccccc2)c(C(=O)N2CCN(c3ccccc3)CC2)o1
InChIInChI=1S/C21H21N3O2/c1-16-22-19(17-8-4-2-5-9-17)20(26-16)21(25)24-14-12-23(13-15-24)18-10-6-3-7-11-18/h2-11H,12-15H2,1H3
InChIKeyJYTPCFRGUIPOJD-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.61
Rot. Bonds3

About (2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone

(2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 71511264) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is (2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID71511264
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name(2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1nc(-c2ccccc2)c(C(=O)N2CCN(c3ccccc3)CC2)o1
InChIInChI=1S/C21H21N3O2/c1-16-22-19(17-8-4-2-5-9-17)20(26-16)21(25)24-14-12-23(13-15-24)18-10-6-3-7-11-18/h2-11H,12-15H2,1H3
InChIKeyJYTPCFRGUIPOJD-UHFFFAOYSA-N
XLogP3.61
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone (CID 71511264) is (2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone is Cc1nc(-c2ccccc2)c(C(=O)N2CCN(c3ccccc3)CC2)o1.
What is the InChIKey of (2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is JYTPCFRGUIPOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-16-22-19(17-8-4-2-5-9-17)20(26-16)21(25)24-14-12-23(13-15-24)18-10-6-3-7-11-18/h2-11H,12-15H2,1H3.
What are the key properties of (2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone?
(2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 347.42 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 71511264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).