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

C22H23N3O2 — CID 1358723

IUPAC(4-benzylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H23N3O2/c1-17-20(21(23-27-17)19-10-6-3-7-11-19)22(26)25-14-12-24(13-15-25)16-18-8-4-2-5-9-18/h2-11H,12-16H2,1H3
InChIKeyYIRGCZMUUPOQFF-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.61
Rot. Bonds4

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

(4-benzylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (PubChem CID 1358723) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
PubChem CID1358723
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(4-benzylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H23N3O2/c1-17-20(21(23-27-17)19-10-6-3-7-11-19)22(26)25-14-12-24(13-15-25)16-18-8-4-2-5-9-18/h2-11H,12-16H2,1H3
InChIKeyYIRGCZMUUPOQFF-UHFFFAOYSA-N
XLogP3.61
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (CID 1358723) is (4-benzylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is Cc1onc(-c2ccccc2)c1C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The InChIKey is YIRGCZMUUPOQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-17-20(21(23-27-17)19-10-6-3-7-11-19)22(26)25-14-12-24(13-15-25)16-18-8-4-2-5-9-18/h2-11H,12-16H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
(4-benzylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone has a molecular weight of 361.45 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 1358723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).