2-N-(2-bromophenyl)-1,3,4-oxadiazole-2,5-diamine

C8H7BrN4O — CID 103436573

IUPAC2-N-(2-bromophenyl)-1,3,4-oxadiazole-2,5-diamine
SMILESNc1nnc(Nc2ccccc2Br)o1
InChIInChI=1S/C8H7BrN4O/c9-5-3-1-2-4-6(5)11-8-13-12-7(10)14-8/h1-4H,(H2,10,12)(H,11,13)
InChIKeyVHQIVDFLDVFMRA-UHFFFAOYSA-N
MW255.07 g/mol
LogP2.16
Rot. Bonds2

About 2-N-(2-bromophenyl)-1,3,4-oxadiazole-2,5-diamine

2-N-(2-bromophenyl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103436573) has the molecular formula C8H7BrN4O and a molecular weight of 255.07 g/mol. Its IUPAC name is 2-N-(2-bromophenyl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-bromophenyl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103436573
Molecular FormulaC8H7BrN4O
Molecular Weight255.07 g/mol
Exact Mass253.98
IUPAC Name2-N-(2-bromophenyl)-1,3,4-oxadiazole-2,5-diamine
SMILESNc1nnc(Nc2ccccc2Br)o1
InChIInChI=1S/C8H7BrN4O/c9-5-3-1-2-4-6(5)11-8-13-12-7(10)14-8/h1-4H,(H2,10,12)(H,11,13)
InChIKeyVHQIVDFLDVFMRA-UHFFFAOYSA-N
XLogP2.16
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2-ethylphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436588
N-(2-bromophenyl)-5-(chloromethyl)-1,3,4-oxadiazol-2-amine
CID 106956428
2-N-(2,3-difluorophenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436713
N-(2-bromophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106956430
N-(2-bromophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968064
N-(2-bromophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968069
2-N-(5-bromo-2-methylphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436693
N-(2-bromophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968057
2-N-(5-bromo-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436922
2-N-(4-bromo-3-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437245
2-N-(4-fluoro-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436829
2-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436488

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromophenyl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(2-bromophenyl)-1,3,4-oxadiazole-2,5-diamine (CID 103436573) is 2-N-(2-bromophenyl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2-bromophenyl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(2-bromophenyl)-1,3,4-oxadiazole-2,5-diamine is Nc1nnc(Nc2ccccc2Br)o1.
What is the InChIKey of 2-N-(2-bromophenyl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is VHQIVDFLDVFMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O/c9-5-3-1-2-4-6(5)11-8-13-12-7(10)14-8/h1-4H,(H2,10,12)(H,11,13).
What are the key properties of 2-N-(2-bromophenyl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(2-bromophenyl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 255.07 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromophenyl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103436573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).