[4-(4-methoxyphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone

C15H17N3O3 — CID 110693625

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccno3)CC2)cc1
InChIInChI=1S/C15H17N3O3/c1-20-13-4-2-12(3-5-13)17-8-10-18(11-9-17)15(19)14-6-7-16-21-14/h2-7H,8-11H2,1H3
InChIKeyARTBRZQLEBVFFE-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.65
Rot. Bonds3

About [4-(4-methoxyphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone

[4-(4-methoxyphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 110693625) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID110693625
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccno3)CC2)cc1
InChIInChI=1S/C15H17N3O3/c1-20-13-4-2-12(3-5-13)17-8-10-18(11-9-17)15(19)14-6-7-16-21-14/h2-7H,8-11H2,1H3
InChIKeyARTBRZQLEBVFFE-UHFFFAOYSA-N
XLogP1.65
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
(4,5-dimethyl-1,2-oxazol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 110856418
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 2164712
(2,6-difluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 896999
(2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113077374
(2-chloro-3-pyridinyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9159021
[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone
CID 75411635
[4-(methoxymethyl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 6498957
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methylpyridazin-3-yl)methanone
CID 110705277
(3,6-dichloro-2-pyridinyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51148520
[5-[(4-fluorophenoxy)methyl]furan-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 55334172
[4-(4-methoxyphenyl)piperazin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 48981638

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone (CID 110693625) is [4-(4-methoxyphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone is COc1ccc(N2CCN(C(=O)c3ccno3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is ARTBRZQLEBVFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-20-13-4-2-12(3-5-13)17-8-10-18(11-9-17)15(19)14-6-7-16-21-14/h2-7H,8-11H2,1H3.
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
[4-(4-methoxyphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 287.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 110693625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).