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

C17H21N3O2 — CID 1247515

IUPAC(5-methyl-1,2-oxazol-3-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(CCc3ccccc3)CC2)no1
InChIInChI=1S/C17H21N3O2/c1-14-13-16(18-22-14)17(21)20-11-9-19(10-12-20)8-7-15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3
InChIKeyFACOUKGDIXZVID-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.98
Rot. Bonds4

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

(5-methyl-1,2-oxazol-3-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 1247515) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
PubChem CID1247515
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(CCc3ccccc3)CC2)no1
InChIInChI=1S/C17H21N3O2/c1-14-13-16(18-22-14)17(21)20-11-9-19(10-12-20)8-7-15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3
InChIKeyFACOUKGDIXZVID-UHFFFAOYSA-N
XLogP1.98
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone (CID 1247515) is (5-methyl-1,2-oxazol-3-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(CCc3ccccc3)CC2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is FACOUKGDIXZVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-14-13-16(18-22-14)17(21)20-11-9-19(10-12-20)8-7-15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
(5-methyl-1,2-oxazol-3-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 299.37 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1247515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).