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

C15H10Br2ClN3O2 — CID 91686192

IUPAC5-[3-bromo-4-[(3-bromophenyl)methoxy]-5-chlorophenyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cc(Cl)c(OCc3cccc(Br)c3)c(Br)c2)o1
InChIInChI=1S/C15H10Br2ClN3O2/c16-10-3-1-2-8(4-10)7-22-13-11(17)5-9(6-12(13)18)14-20-21-15(19)23-14/h1-6H,7H2,(H2,19,21)
InChIKeyUCHLUSDGZDHGKL-UHFFFAOYSA-N
MW459.53 g/mol
LogP5.08
Rot. Bonds4

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

5-[3-bromo-4-[(3-bromophenyl)methoxy]-5-chlorophenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 91686192) has the molecular formula C15H10Br2ClN3O2 and a molecular weight of 459.53 g/mol. Its IUPAC name is 5-[3-bromo-4-[(3-bromophenyl)methoxy]-5-chlorophenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-bromo-4-[(3-bromophenyl)methoxy]-5-chlorophenyl]-1,3,4-oxadiazol-2-amine
PubChem CID91686192
Molecular FormulaC15H10Br2ClN3O2
Molecular Weight459.53 g/mol
Exact Mass456.88
IUPAC Name5-[3-bromo-4-[(3-bromophenyl)methoxy]-5-chlorophenyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cc(Cl)c(OCc3cccc(Br)c3)c(Br)c2)o1
InChIInChI=1S/C15H10Br2ClN3O2/c16-10-3-1-2-8(4-10)7-22-13-11(17)5-9(6-12(13)18)14-20-21-15(19)23-14/h1-6H,7H2,(H2,19,21)
InChIKeyUCHLUSDGZDHGKL-UHFFFAOYSA-N
XLogP5.08
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.53
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91686187
5-[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91683263
5-[4-[(3-bromophenyl)methoxy]-3-iodo-5-methoxyphenyl]-1,3,4-oxadiazol-2-amine
CID 91683272
5-[2-[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]ethyl]-1,3,4-oxadiazol-2-amine
CID 91686260
4-[(3-bromophenyl)methoxy]-3,5-dichlorobenzonitrile
CID 91683303
5-[3-bromo-5-chloro-4-[(3-methylphenyl)methoxy]phenyl]-2H-tetrazole
CID 132593120
5-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681973
2-[3-bromo-5-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
CID 132593104
5-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine
CID 91682846
5-[2-[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]-1,3,4-oxadiazol-2-amine
CID 91686268
5-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681816

Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-4-[(3-bromophenyl)methoxy]-5-chlorophenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-bromo-4-[(3-bromophenyl)methoxy]-5-chlorophenyl]-1,3,4-oxadiazol-2-amine (CID 91686192) is 5-[3-bromo-4-[(3-bromophenyl)methoxy]-5-chlorophenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-bromo-4-[(3-bromophenyl)methoxy]-5-chlorophenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-bromo-4-[(3-bromophenyl)methoxy]-5-chlorophenyl]-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2cc(Cl)c(OCc3cccc(Br)c3)c(Br)c2)o1.
What is the InChIKey of 5-[3-bromo-4-[(3-bromophenyl)methoxy]-5-chlorophenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is UCHLUSDGZDHGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2ClN3O2/c16-10-3-1-2-8(4-10)7-22-13-11(17)5-9(6-12(13)18)14-20-21-15(19)23-14/h1-6H,7H2,(H2,19,21).
What are the key properties of 5-[3-bromo-4-[(3-bromophenyl)methoxy]-5-chlorophenyl]-1,3,4-oxadiazol-2-amine?
5-[3-bromo-4-[(3-bromophenyl)methoxy]-5-chlorophenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 459.53 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-bromo-4-[(3-bromophenyl)methoxy]-5-chlorophenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 91686192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).