2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole

C18H19N3O2 — CID 51179578

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole
SMILESCOc1ccc(N2CCN(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C18H19N3O2/c1-22-15-8-6-14(7-9-15)20-10-12-21(13-11-20)18-19-16-4-2-3-5-17(16)23-18/h2-9H,10-13H2,1H3
InChIKeyOLWHKCCECNTAGO-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.16
Rot. Bonds3

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole

2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole (PubChem CID 51179578) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole
PubChem CID51179578
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole
SMILESCOc1ccc(N2CCN(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C18H19N3O2/c1-22-15-8-6-14(7-9-15)20-10-12-21(13-11-20)18-19-16-4-2-3-5-17(16)23-18/h2-9H,10-13H2,1H3
InChIKeyOLWHKCCECNTAGO-UHFFFAOYSA-N
XLogP3.16
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.16
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

2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-benzoxazole
CID 36581573
2-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 14792326
[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 131899516
2-(4-propylpiperazin-1-yl)-1,3-benzoxazole
CID 11395660
7,10-bis(1,3-benzoxazol-2-yl)-1-oxa-4,13-dithia-7,10-diazacyclopentadecane
CID 15321742
2-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 163352202
2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole
CID 24805905
4-amino-2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 172594354
2-(4-phenoxypiperidin-1-yl)-1,3-benzoxazole
CID 155569925
1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol
CID 106673452
2-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3-benzoxazole
CID 146080024
1'-(1,3-benzoxazol-2-yl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774866

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole (CID 51179578) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole is COc1ccc(N2CCN(c3nc4ccccc4o3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole?
The InChIKey is OLWHKCCECNTAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-22-15-8-6-14(7-9-15)20-10-12-21(13-11-20)18-19-16-4-2-3-5-17(16)23-18/h2-9H,10-13H2,1H3.
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole has a molecular weight of 309.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 51179578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).