[5-bromo-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanol

C16H12BrClN2O3 — CID 7701791

IUPAC[5-bromo-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanol
SMILESOCc1cc(Br)ccc1OCc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C16H12BrClN2O3/c17-12-3-6-14(11(7-12)8-21)22-9-15-19-20-16(23-15)10-1-4-13(18)5-2-10/h1-7,21H,8-9H2
InChIKeyQKBVMFAMDDPNHF-UHFFFAOYSA-N
MW395.64 g/mol
LogP4.22
Rot. Bonds5

About [5-bromo-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanol

[5-bromo-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanol (PubChem CID 7701791) has the molecular formula C16H12BrClN2O3 and a molecular weight of 395.64 g/mol. Its IUPAC name is [5-bromo-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanol
PubChem CID7701791
Molecular FormulaC16H12BrClN2O3
Molecular Weight395.64 g/mol
Exact Mass393.97
IUPAC Name[5-bromo-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanol
SMILESOCc1cc(Br)ccc1OCc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C16H12BrClN2O3/c17-12-3-6-14(11(7-12)8-21)22-9-15-19-20-16(23-15)10-1-4-13(18)5-2-10/h1-7,21H,8-9H2
InChIKeyQKBVMFAMDDPNHF-UHFFFAOYSA-N
XLogP4.22
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.64
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-bromo-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanol with MolForge

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Related Compounds

2-(4-chlorophenyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole
CID 110655751
2-(4-chlorophenyl)-5-[(2,6-dimethoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 7695649
(Z)-1-(4-bromophenyl)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine
CID 7702211
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,4-dimethoxybenzoate
CID 8010721
[5-bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol
CID 78993100
[4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol
CID 112630832
2-(4-chlorophenyl)-5-(dibenzofuran-2-yloxymethyl)-1,3,4-oxadiazole
CID 7612771
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate
CID 8014044
2-(4-bromophenyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole
CID 9320315
2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 18859382
2-[4-(2,4-dichlorophenoxy)phenyl]-5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 155805409
methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
CID 7671554

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanol?
The IUPAC name of [5-bromo-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanol (CID 7701791) is [5-bromo-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanol.
What is the SMILES notation for [5-bromo-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanol?
The canonical SMILES for [5-bromo-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanol is OCc1cc(Br)ccc1OCc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of [5-bromo-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanol?
The InChIKey is QKBVMFAMDDPNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2O3/c17-12-3-6-14(11(7-12)8-21)22-9-15-19-20-16(23-15)10-1-4-13(18)5-2-10/h1-7,21H,8-9H2.
What are the key properties of [5-bromo-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanol?
[5-bromo-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanol has a molecular weight of 395.64 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanol is sourced from PubChem (CID 7701791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).