[5-(2-methylphenyl)-1,2-oxazol-4-yl]-piperazin-1-ylmethanone

C15H17N3O2 — CID 95474291

IUPAC[5-(2-methylphenyl)-1,2-oxazol-4-yl]-piperazin-1-ylmethanone
SMILESCc1ccccc1-c1oncc1C(=O)N1CCNCC1
InChIInChI=1S/C15H17N3O2/c1-11-4-2-3-5-12(11)14-13(10-17-20-14)15(19)18-8-6-16-7-9-18/h2-5,10,16H,6-9H2,1H3
InChIKeyUZEZZYGHCXSETA-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.70
Rot. Bonds2

About [5-(2-methylphenyl)-1,2-oxazol-4-yl]-piperazin-1-ylmethanone

[5-(2-methylphenyl)-1,2-oxazol-4-yl]-piperazin-1-ylmethanone (PubChem CID 95474291) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is [5-(2-methylphenyl)-1,2-oxazol-4-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[5-(2-methylphenyl)-1,2-oxazol-4-yl]-piperazin-1-ylmethanone
PubChem CID95474291
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name[5-(2-methylphenyl)-1,2-oxazol-4-yl]-piperazin-1-ylmethanone
SMILESCc1ccccc1-c1oncc1C(=O)N1CCNCC1
InChIInChI=1S/C15H17N3O2/c1-11-4-2-3-5-12(11)14-13(10-17-20-14)15(19)18-8-6-16-7-9-18/h2-5,10,16H,6-9H2,1H3
InChIKeyUZEZZYGHCXSETA-UHFFFAOYSA-N
XLogP1.70
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 59170047
(5-cyclopropyl-1,2-oxazol-4-yl)-piperazin-1-ylmethanone
CID 71695455
(4-methyl-3-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride
CID 119401446
[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 59170222
[1-(2,3-dimethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 82528578
[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 110647763
(4-deuteriopiperazin-1-yl)-(2-methylphenyl)methanone
CID 175795423
piperazin-1-yl-(2-propan-2-ylphenyl)methanone
CID 82510229
(4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 131160128
2-(piperazine-1-carbonyl)benzoyl chloride
CID 82511837
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
(4-benzyl-4-hydroxypiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
CID 59170036

Frequently Asked Questions

What is the IUPAC name of [5-(2-methylphenyl)-1,2-oxazol-4-yl]-piperazin-1-ylmethanone?
The IUPAC name of [5-(2-methylphenyl)-1,2-oxazol-4-yl]-piperazin-1-ylmethanone (CID 95474291) is [5-(2-methylphenyl)-1,2-oxazol-4-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [5-(2-methylphenyl)-1,2-oxazol-4-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [5-(2-methylphenyl)-1,2-oxazol-4-yl]-piperazin-1-ylmethanone is Cc1ccccc1-c1oncc1C(=O)N1CCNCC1.
What is the InChIKey of [5-(2-methylphenyl)-1,2-oxazol-4-yl]-piperazin-1-ylmethanone?
The InChIKey is UZEZZYGHCXSETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-4-2-3-5-12(11)14-13(10-17-20-14)15(19)18-8-6-16-7-9-18/h2-5,10,16H,6-9H2,1H3.
What are the key properties of [5-(2-methylphenyl)-1,2-oxazol-4-yl]-piperazin-1-ylmethanone?
[5-(2-methylphenyl)-1,2-oxazol-4-yl]-piperazin-1-ylmethanone has a molecular weight of 271.32 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylphenyl)-1,2-oxazol-4-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 95474291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).