5-[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine

C16H13BrClN3O2 — CID 91686187

IUPAC5-[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(COc2c(Cl)cc(-c3nnc(N)o3)cc2Br)cc1
InChIInChI=1S/C16H13BrClN3O2/c1-9-2-4-10(5-3-9)8-22-14-12(17)6-11(7-13(14)18)15-20-21-16(19)23-15/h2-7H,8H2,1H3,(H2,19,21)
InChIKeyFMLQTZWJIFOGOD-UHFFFAOYSA-N
MW394.66 g/mol
LogP4.62
Rot. Bonds4

About 5-[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine

5-[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 91686187) has the molecular formula C16H13BrClN3O2 and a molecular weight of 394.66 g/mol. Its IUPAC name is 5-[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID91686187
Molecular FormulaC16H13BrClN3O2
Molecular Weight394.66 g/mol
Exact Mass392.99
IUPAC Name5-[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(COc2c(Cl)cc(-c3nnc(N)o3)cc2Br)cc1
InChIInChI=1S/C16H13BrClN3O2/c1-9-2-4-10(5-3-9)8-22-14-12(17)6-11(7-13(14)18)15-20-21-16(19)23-15/h2-7H,8H2,1H3,(H2,19,21)
InChIKeyFMLQTZWJIFOGOD-UHFFFAOYSA-N
XLogP4.62
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.66
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

5-[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]-1,3,4-oxadiazol-2-amine
CID 91686193
5-[3-bromo-5-chloro-4-[(2-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91686188
5-[3-bromo-4-[(3-bromophenyl)methoxy]-5-chlorophenyl]-1,3,4-oxadiazol-2-amine
CID 91686192
5-[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91683263
5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681821
5-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681973
5-[2-[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]ethyl]-1,3,4-oxadiazol-2-amine
CID 91686260
5-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681816
5-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine
CID 91681619
5-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine
CID 91682846
4-[(2-bromo-4,6-dichlorophenoxy)methyl]aniline
CID 22688171
3-bromo-5-fluoro-2-[(4-methylphenyl)methoxy]aniline
CID 43379387

Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine (CID 91686187) is 5-[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine is Cc1ccc(COc2c(Cl)cc(-c3nnc(N)o3)cc2Br)cc1.
What is the InChIKey of 5-[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is FMLQTZWJIFOGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3O2/c1-9-2-4-10(5-3-9)8-22-14-12(17)6-11(7-13(14)18)15-20-21-16(19)23-15/h2-7H,8H2,1H3,(H2,19,21).
What are the key properties of 5-[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine?
5-[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 394.66 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 91686187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).