(7-bromo-5-methyl-1,3-benzoxazol-2-yl)hydrazine

C8H8BrN3O — CID 82231953

IUPAC(7-bromo-5-methyl-1,3-benzoxazol-2-yl)hydrazine
SMILESCc1cc(Br)c2oc(NN)nc2c1
InChIInChI=1S/C8H8BrN3O/c1-4-2-5(9)7-6(3-4)11-8(12-10)13-7/h2-3H,10H2,1H3,(H,11,12)
InChIKeyYDHIJVLZTAOVNH-UHFFFAOYSA-N
MW242.08 g/mol
LogP2.18
Rot. Bonds1

About (7-bromo-5-methyl-1,3-benzoxazol-2-yl)hydrazine

(7-bromo-5-methyl-1,3-benzoxazol-2-yl)hydrazine (PubChem CID 82231953) has the molecular formula C8H8BrN3O and a molecular weight of 242.08 g/mol. Its IUPAC name is (7-bromo-5-methyl-1,3-benzoxazol-2-yl)hydrazine.

Molecular Properties

Compound Name(7-bromo-5-methyl-1,3-benzoxazol-2-yl)hydrazine
PubChem CID82231953
Molecular FormulaC8H8BrN3O
Molecular Weight242.08 g/mol
Exact Mass240.99
IUPAC Name(7-bromo-5-methyl-1,3-benzoxazol-2-yl)hydrazine
SMILESCc1cc(Br)c2oc(NN)nc2c1
InChIInChI=1S/C8H8BrN3O/c1-4-2-5(9)7-6(3-4)11-8(12-10)13-7/h2-3H,10H2,1H3,(H,11,12)
InChIKeyYDHIJVLZTAOVNH-UHFFFAOYSA-N
XLogP2.18
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[7-bromo-5-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine
CID 82233963
7-bromo-2-chloro-5-methyl-1,3-benzoxazole
CID 62369365
3-bromo-4-(7-bromo-5-methyl-1,3-benzoxazol-2-yl)aniline
CID 95910789
7-bromo-5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 51983742
7-bromo-2-(3,4-dichlorophenyl)-5-methyl-1,3-benzoxazole
CID 51983759
(5,7-dimethoxy-1,3-benzoxazol-2-yl)hydrazine
CID 139991158
7-bromo-N-methyl-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 82233441
7-bromo-2-(3-chloro-4-methylphenyl)-5-methyl-1,3-benzoxazole
CID 51983755
7-bromo-2-(3-fluorophenyl)-5-methyl-1,3-benzoxazole
CID 82095605
1-[7-bromo-2-(methylamino)-1,3-benzoxazol-5-yl]ethanone
CID 82233431
7-bromo-N-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-amine
CID 82233713
(7-bromo-5-methylfuro[3,2-b]pyridin-2-yl)-trimethylsilane
CID 178038912

Frequently Asked Questions

What is the IUPAC name of (7-bromo-5-methyl-1,3-benzoxazol-2-yl)hydrazine?
The IUPAC name of (7-bromo-5-methyl-1,3-benzoxazol-2-yl)hydrazine (CID 82231953) is (7-bromo-5-methyl-1,3-benzoxazol-2-yl)hydrazine.
What is the SMILES notation for (7-bromo-5-methyl-1,3-benzoxazol-2-yl)hydrazine?
The canonical SMILES for (7-bromo-5-methyl-1,3-benzoxazol-2-yl)hydrazine is Cc1cc(Br)c2oc(NN)nc2c1.
What is the InChIKey of (7-bromo-5-methyl-1,3-benzoxazol-2-yl)hydrazine?
The InChIKey is YDHIJVLZTAOVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O/c1-4-2-5(9)7-6(3-4)11-8(12-10)13-7/h2-3H,10H2,1H3,(H,11,12).
What are the key properties of (7-bromo-5-methyl-1,3-benzoxazol-2-yl)hydrazine?
(7-bromo-5-methyl-1,3-benzoxazol-2-yl)hydrazine has a molecular weight of 242.08 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-5-methyl-1,3-benzoxazol-2-yl)hydrazine is sourced from PubChem (CID 82231953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).