5-[2-[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]ethyl]-1,3,4-oxadiazol-2-amine

C17H14Br2ClN3O2 — CID 91686260

IUPAC5-[2-[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]ethyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(CCc2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)o1
InChIInChI=1S/C17H14Br2ClN3O2/c18-12-4-1-10(2-5-12)9-24-16-13(19)7-11(8-14(16)20)3-6-15-22-23-17(21)25-15/h1-2,4-5,7-8H,3,6,9H2,(H2,21,23)
InChIKeySVZYQIRJYYJQOW-UHFFFAOYSA-N
MW487.58 g/mol
LogP5.19
Rot. Bonds6

About 5-[2-[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]ethyl]-1,3,4-oxadiazol-2-amine

5-[2-[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 91686260) has the molecular formula C17H14Br2ClN3O2 and a molecular weight of 487.58 g/mol. Its IUPAC name is 5-[2-[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[2-[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID91686260
Molecular FormulaC17H14Br2ClN3O2
Molecular Weight487.58 g/mol
Exact Mass484.91
IUPAC Name5-[2-[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]ethyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(CCc2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)o1
InChIInChI=1S/C17H14Br2ClN3O2/c18-12-4-1-10(2-5-12)9-24-16-13(19)7-11(8-14(16)20)3-6-15-22-23-17(21)25-15/h1-2,4-5,7-8H,3,6,9H2,(H2,21,23)
InChIKeySVZYQIRJYYJQOW-UHFFFAOYSA-N
XLogP5.19
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.58
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]ethyl]-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

5-[2-[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]-1,3,4-oxadiazol-2-amine
CID 91686268
5-[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]-1,3,4-oxadiazol-2-amine
CID 91686193
5-[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91686187
5-[3-bromo-4-[(3-bromophenyl)methoxy]-5-chlorophenyl]-1,3,4-oxadiazol-2-amine
CID 91686192
1,3-dibromo-5-(bromomethyl)-2-[(4-bromophenyl)methoxy]benzene
CID 107745706
5-[(2-chloro-4,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-amine
CID 91675568
3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorobenzoyl chloride
CID 91685943
4-[(2-bromo-4,6-dichlorophenoxy)methyl]aniline
CID 22688171
2-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]ethanamine
CID 107739438
5-[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91683263
5-[(2-chloro-4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-amine
CID 91685818
5-[3-bromo-5-chloro-4-[(2-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91686188

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[2-[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]ethyl]-1,3,4-oxadiazol-2-amine (CID 91686260) is 5-[2-[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[2-[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[2-[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]ethyl]-1,3,4-oxadiazol-2-amine is Nc1nnc(CCc2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)o1.
What is the InChIKey of 5-[2-[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is SVZYQIRJYYJQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Br2ClN3O2/c18-12-4-1-10(2-5-12)9-24-16-13(19)7-11(8-14(16)20)3-6-15-22-23-17(21)25-15/h1-2,4-5,7-8H,3,6,9H2,(H2,21,23).
What are the key properties of 5-[2-[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]ethyl]-1,3,4-oxadiazol-2-amine?
5-[2-[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 487.58 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 91686260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).