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

C17H13BrCl3N3O2 — CID 91686268

IUPAC5-[2-[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(CCc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)o1
InChIInChI=1S/C17H13BrCl3N3O2/c18-12-5-9(1-4-15-23-24-17(22)26-15)6-14(21)16(12)25-8-10-2-3-11(19)7-13(10)20/h2-3,5-7H,1,4,8H2,(H2,22,24)
InChIKeyNRSQDFITGBTFCJ-UHFFFAOYSA-N
MW477.57 g/mol
LogP5.74
Rot. Bonds6

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

5-[2-[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 91686268) has the molecular formula C17H13BrCl3N3O2 and a molecular weight of 477.57 g/mol. Its IUPAC name is 5-[2-[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[2-[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID91686268
Molecular FormulaC17H13BrCl3N3O2
Molecular Weight477.57 g/mol
Exact Mass474.93
IUPAC Name5-[2-[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(CCc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)o1
InChIInChI=1S/C17H13BrCl3N3O2/c18-12-5-9(1-4-15-23-24-17(22)26-15)6-14(21)16(12)25-8-10-2-3-11(19)7-13(10)20/h2-3,5-7H,1,4,8H2,(H2,22,24)
InChIKeyNRSQDFITGBTFCJ-UHFFFAOYSA-N
XLogP5.74
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.57
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

5-[2-[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]ethyl]-1,3,4-oxadiazol-2-amine
CID 91686260
1,3-dibromo-5-(bromomethyl)-2-[(2,4-dichlorophenyl)methoxy]benzene
CID 107745761
3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]benzoyl chloride
CID 91685911
5-[3-bromo-5-chloro-4-[(2-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91686188
5-[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]-1,3,4-oxadiazol-2-amine
CID 91686193
5-[(E)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine
CID 91685450
5-[(2-chloro-4,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-amine
CID 91675568
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
5-[(E)-2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine
CID 91685448
3-[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 171137566
4-[(2-bromo-4,6-dichlorophenoxy)methyl]aniline
CID 22688171

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[2-[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]-1,3,4-oxadiazol-2-amine (CID 91686268) is 5-[2-[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[2-[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[2-[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]-1,3,4-oxadiazol-2-amine is Nc1nnc(CCc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)o1.
What is the InChIKey of 5-[2-[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is NRSQDFITGBTFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrCl3N3O2/c18-12-5-9(1-4-15-23-24-17(22)26-15)6-14(21)16(12)25-8-10-2-3-11(19)7-13(10)20/h2-3,5-7H,1,4,8H2,(H2,22,24).
What are the key properties of 5-[2-[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]-1,3,4-oxadiazol-2-amine?
5-[2-[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 477.57 g/mol, XLogP of 5.74, 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-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 91686268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).