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

C17H21N3O2 — CID 1471387

IUPAC(4-benzylpiperazin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H21N3O2/c1-13-16(14(2)22-18-13)17(21)20-10-8-19(9-11-20)12-15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3
InChIKeySIYWCBMVUCXJEO-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.25
Rot. Bonds3

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

(4-benzylpiperazin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (PubChem CID 1471387) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
PubChem CID1471387
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(4-benzylpiperazin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H21N3O2/c1-13-16(14(2)22-18-13)17(21)20-10-8-19(9-11-20)12-15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3
InChIKeySIYWCBMVUCXJEO-UHFFFAOYSA-N
XLogP2.25
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.25
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)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (CID 1471387) is (4-benzylpiperazin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is Cc1noc(C)c1C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The InChIKey is SIYWCBMVUCXJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-16(14(2)22-18-13)17(21)20-10-8-19(9-11-20)12-15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
(4-benzylpiperazin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone has a molecular weight of 299.37 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 1471387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).