5-bromo-2-(1-phenylpiperidin-4-yl)-1,3-benzoxazole

C18H17BrN2O — CID 135155998

IUPAC5-bromo-2-(1-phenylpiperidin-4-yl)-1,3-benzoxazole
SMILESBrc1ccc2oc(C3CCN(c4ccccc4)CC3)nc2c1
InChIInChI=1S/C18H17BrN2O/c19-14-6-7-17-16(12-14)20-18(22-17)13-8-10-21(11-9-13)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2
InChIKeyBYJLYGJVPPEZBE-UHFFFAOYSA-N
MW357.25 g/mol
LogP4.97
Rot. Bonds2

About 5-bromo-2-(1-phenylpiperidin-4-yl)-1,3-benzoxazole

5-bromo-2-(1-phenylpiperidin-4-yl)-1,3-benzoxazole (PubChem CID 135155998) has the molecular formula C18H17BrN2O and a molecular weight of 357.25 g/mol. Its IUPAC name is 5-bromo-2-(1-phenylpiperidin-4-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-bromo-2-(1-phenylpiperidin-4-yl)-1,3-benzoxazole
PubChem CID135155998
Molecular FormulaC18H17BrN2O
Molecular Weight357.25 g/mol
Exact Mass356.05
IUPAC Name5-bromo-2-(1-phenylpiperidin-4-yl)-1,3-benzoxazole
SMILESBrc1ccc2oc(C3CCN(c4ccccc4)CC3)nc2c1
InChIInChI=1S/C18H17BrN2O/c19-14-6-7-17-16(12-14)20-18(22-17)13-8-10-21(11-9-13)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2
InChIKeyBYJLYGJVPPEZBE-UHFFFAOYSA-N
XLogP4.97
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-(1-phenylpiperidin-4-yl)-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1S,3R)-3-(5-bromo-1,3-benzoxazol-2-yl)cyclopentan-1-amine
CID 106323731
5-bromo-2-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzoxazole
CID 163241875
methyl 4-(5-bromo-1,3-benzoxazol-2-yl)cyclohexane-1-carboxylate
CID 135155937
3-(5-methyl-1,3-benzoxazol-2-yl)-N-phenylpyrrolidin-1-amine
CID 91352161
tert-butyl 3-(5-bromo-1,3-benzoxazol-2-yl)azetidine-1-carboxylate
CID 170951246
2-cyclohexyl-1,3-benzoxazole-5-carboxylic acid
CID 28752317
2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 55766693
(4S)-4-(5-chloro-1,3-benzoxazol-2-yl)-1-phenylpyrrolidin-2-one
CID 96571549
2-[1-(2-nitrophenyl)piperidin-4-yl]-1,3-benzoxazole
CID 33089272
3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(3,5-dichlorophenyl)pyrrole-2,5-diol
CID 91896614
2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine
CID 82167785
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 46471114

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-phenylpiperidin-4-yl)-1,3-benzoxazole?
The IUPAC name of 5-bromo-2-(1-phenylpiperidin-4-yl)-1,3-benzoxazole (CID 135155998) is 5-bromo-2-(1-phenylpiperidin-4-yl)-1,3-benzoxazole.
What is the SMILES notation for 5-bromo-2-(1-phenylpiperidin-4-yl)-1,3-benzoxazole?
The canonical SMILES for 5-bromo-2-(1-phenylpiperidin-4-yl)-1,3-benzoxazole is Brc1ccc2oc(C3CCN(c4ccccc4)CC3)nc2c1.
What is the InChIKey of 5-bromo-2-(1-phenylpiperidin-4-yl)-1,3-benzoxazole?
The InChIKey is BYJLYGJVPPEZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O/c19-14-6-7-17-16(12-14)20-18(22-17)13-8-10-21(11-9-13)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2.
What are the key properties of 5-bromo-2-(1-phenylpiperidin-4-yl)-1,3-benzoxazole?
5-bromo-2-(1-phenylpiperidin-4-yl)-1,3-benzoxazole has a molecular weight of 357.25 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-phenylpiperidin-4-yl)-1,3-benzoxazole is sourced from PubChem (CID 135155998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).