5-(3-bromo-4-fluorophenyl)-2-hydroxy-N-(2H-tetrazol-5-ylmethyl)-1,2,5-oxadiazol-3-amine

C10H9BrFN7O2 — CID 142692538

IUPAC5-(3-bromo-4-fluorophenyl)-2-hydroxy-N-(2H-tetrazol-5-ylmethyl)-1,2,5-oxadiazol-3-amine
SMILESON1ON(c2ccc(F)c(Br)c2)C=C1NCc1nn[nH]n1
InChIInChI=1S/C10H9BrFN7O2/c11-7-3-6(1-2-8(7)12)18-5-10(19(20)21-18)13-4-9-14-16-17-15-9/h1-3,5,13,20H,4H2,(H,14,15,16,17)
InChIKeyKLCGKFKVKXTBGJ-UHFFFAOYSA-N
MW358.13 g/mol
LogP1.05
Rot. Bonds4

About 5-(3-bromo-4-fluorophenyl)-2-hydroxy-N-(2H-tetrazol-5-ylmethyl)-1,2,5-oxadiazol-3-amine

5-(3-bromo-4-fluorophenyl)-2-hydroxy-N-(2H-tetrazol-5-ylmethyl)-1,2,5-oxadiazol-3-amine (PubChem CID 142692538) has the molecular formula C10H9BrFN7O2 and a molecular weight of 358.13 g/mol. Its IUPAC name is 5-(3-bromo-4-fluorophenyl)-2-hydroxy-N-(2H-tetrazol-5-ylmethyl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(3-bromo-4-fluorophenyl)-2-hydroxy-N-(2H-tetrazol-5-ylmethyl)-1,2,5-oxadiazol-3-amine
PubChem CID142692538
Molecular FormulaC10H9BrFN7O2
Molecular Weight358.13 g/mol
Exact Mass357.00
IUPAC Name5-(3-bromo-4-fluorophenyl)-2-hydroxy-N-(2H-tetrazol-5-ylmethyl)-1,2,5-oxadiazol-3-amine
SMILESON1ON(c2ccc(F)c(Br)c2)C=C1NCc1nn[nH]n1
InChIInChI=1S/C10H9BrFN7O2/c11-7-3-6(1-2-8(7)12)18-5-10(19(20)21-18)13-4-9-14-16-17-15-9/h1-3,5,13,20H,4H2,(H,14,15,16,17)
InChIKeyKLCGKFKVKXTBGJ-UHFFFAOYSA-N
XLogP1.05
TPSA102.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.13
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-(3-bromo-4-fluorophenyl)-2-hydroxy-N-(2H-tetrazol-5-ylmethyl)-1,2,5-oxadiazol-3-amine with MolForge

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Related Compounds

4-bromo-5-fluoro-1-N-(2H-tetrazol-5-ylmethyl)benzene-1,2-diamine
CID 66109952
4-bromo-5-fluoro-2-nitro-N-(2H-tetrazol-5-ylmethyl)aniline
CID 66112628
5-bromo-2-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 107042162
3-bromo-4-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 107042679
4-bromo-5-fluoro-2-N-(2H-tetrazol-5-ylmethyl)benzene-1,2-diamine
CID 116735771
5-bromo-4-fluoro-2-nitro-N-(2H-tetrazol-5-ylmethyl)aniline
CID 116737084
4-bromo-2-nitro-N-(2H-tetrazol-5-ylmethyl)aniline
CID 61851070
2-bromo-1-N-(2H-tetrazol-5-ylmethyl)benzene-1,4-diamine
CID 61851961
2-bromo-4-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]aniline
CID 61855805
2-bromo-4-nitro-N-(2H-tetrazol-5-ylmethyl)aniline
CID 61855828
5-bromo-2-nitro-N-(2H-tetrazol-5-ylmethyl)aniline
CID 65341879
3-bromo-N-(2H-tetrazol-5-ylmethyl)aniline
CID 83729496

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-fluorophenyl)-2-hydroxy-N-(2H-tetrazol-5-ylmethyl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 5-(3-bromo-4-fluorophenyl)-2-hydroxy-N-(2H-tetrazol-5-ylmethyl)-1,2,5-oxadiazol-3-amine (CID 142692538) is 5-(3-bromo-4-fluorophenyl)-2-hydroxy-N-(2H-tetrazol-5-ylmethyl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 5-(3-bromo-4-fluorophenyl)-2-hydroxy-N-(2H-tetrazol-5-ylmethyl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 5-(3-bromo-4-fluorophenyl)-2-hydroxy-N-(2H-tetrazol-5-ylmethyl)-1,2,5-oxadiazol-3-amine is ON1ON(c2ccc(F)c(Br)c2)C=C1NCc1nn[nH]n1.
What is the InChIKey of 5-(3-bromo-4-fluorophenyl)-2-hydroxy-N-(2H-tetrazol-5-ylmethyl)-1,2,5-oxadiazol-3-amine?
The InChIKey is KLCGKFKVKXTBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN7O2/c11-7-3-6(1-2-8(7)12)18-5-10(19(20)21-18)13-4-9-14-16-17-15-9/h1-3,5,13,20H,4H2,(H,14,15,16,17).
What are the key properties of 5-(3-bromo-4-fluorophenyl)-2-hydroxy-N-(2H-tetrazol-5-ylmethyl)-1,2,5-oxadiazol-3-amine?
5-(3-bromo-4-fluorophenyl)-2-hydroxy-N-(2H-tetrazol-5-ylmethyl)-1,2,5-oxadiazol-3-amine has a molecular weight of 358.13 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-fluorophenyl)-2-hydroxy-N-(2H-tetrazol-5-ylmethyl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 142692538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).