2-(4-benzhydrylpiperazin-1-yl)-1,3-benzoxazole

C24H23N3O — CID 24632071

IUPAC2-(4-benzhydrylpiperazin-1-yl)-1,3-benzoxazole
SMILESc1ccc(C(c2ccccc2)N2CCN(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C24H23N3O/c1-3-9-19(10-4-1)23(20-11-5-2-6-12-20)26-15-17-27(18-16-26)24-25-21-13-7-8-14-22(21)28-24/h1-14,23H,15-18H2
InChIKeyHGQGSAHVBRHLKY-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.74
Rot. Bonds4

About 2-(4-benzhydrylpiperazin-1-yl)-1,3-benzoxazole

2-(4-benzhydrylpiperazin-1-yl)-1,3-benzoxazole (PubChem CID 24632071) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-1,3-benzoxazole
PubChem CID24632071
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-1,3-benzoxazole
SMILESc1ccc(C(c2ccccc2)N2CCN(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C24H23N3O/c1-3-9-19(10-4-1)23(20-11-5-2-6-12-20)26-15-17-27(18-16-26)24-25-21-13-7-8-14-22(21)28-24/h1-14,23H,15-18H2
InChIKeyHGQGSAHVBRHLKY-UHFFFAOYSA-N
XLogP4.74
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 14792326
2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-benzoxazole
CID 36581573
2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole
CID 24805905
2-(4-propylpiperazin-1-yl)-1,3-benzoxazole
CID 11395660
2-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 126770624
2-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]-1,3-benzoxazole
CID 154581141
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole
CID 51179578
7,10-bis(1,3-benzoxazol-2-yl)-1-oxa-4,13-dithia-7,10-diazacyclopentadecane
CID 15321742
2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole
CID 126892246
2-(4-phenoxypiperidin-1-yl)-1,3-benzoxazole
CID 155569925
1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol
CID 106673452
1-(1,3-benzoxazol-2-yl)-N-[cyclopropyl(phenyl)methyl]piperidine-4-carboxamide
CID 16602272

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-1,3-benzoxazole?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-1,3-benzoxazole (CID 24632071) is 2-(4-benzhydrylpiperazin-1-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-1,3-benzoxazole is c1ccc(C(c2ccccc2)N2CCN(c3nc4ccccc4o3)CC2)cc1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-1,3-benzoxazole?
The InChIKey is HGQGSAHVBRHLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-3-9-19(10-4-1)23(20-11-5-2-6-12-20)26-15-17-27(18-16-26)24-25-21-13-7-8-14-22(21)28-24/h1-14,23H,15-18H2.
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-1,3-benzoxazole?
2-(4-benzhydrylpiperazin-1-yl)-1,3-benzoxazole has a molecular weight of 369.47 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-1,3-benzoxazole is sourced from PubChem (CID 24632071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).