(5-butyl-1,3-benzoxazol-2-yl)hydrazine

C11H15N3O — CID 82230351

IUPAC(5-butyl-1,3-benzoxazol-2-yl)hydrazine
SMILESCCCCc1ccc2oc(NN)nc2c1
InChIInChI=1S/C11H15N3O/c1-2-3-4-8-5-6-10-9(7-8)13-11(14-12)15-10/h5-7H,2-4,12H2,1H3,(H,13,14)
InChIKeyNUFJZMYWCHFOCT-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.46
Rot. Bonds4

About (5-butyl-1,3-benzoxazol-2-yl)hydrazine

(5-butyl-1,3-benzoxazol-2-yl)hydrazine (PubChem CID 82230351) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is (5-butyl-1,3-benzoxazol-2-yl)hydrazine.

Molecular Properties

Compound Name(5-butyl-1,3-benzoxazol-2-yl)hydrazine
PubChem CID82230351
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name(5-butyl-1,3-benzoxazol-2-yl)hydrazine
SMILESCCCCc1ccc2oc(NN)nc2c1
InChIInChI=1S/C11H15N3O/c1-2-3-4-8-5-6-10-9(7-8)13-11(14-12)15-10/h5-7H,2-4,12H2,1H3,(H,13,14)
InChIKeyNUFJZMYWCHFOCT-UHFFFAOYSA-N
XLogP2.46
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.46
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

N-(4-butylphenyl)-5-chloro-1,3-benzoxazol-2-amine
CID 2108047
5-decyl-2-propyl-1,3-benzoxazole
CID 170290487
5-propyl-1,3-benzoxazol-2-amine
CID 62548389
5-hexyl-2-(4-octylphenyl)-1,3-benzoxazole
CID 19021147
tert-butyl N-[2-[(5-dodecyl-1,3-benzoxazol-2-yl)amino]ethyl]carbamate
CID 162755843
N-methyl-1-(5-propyl-1,3-benzoxazol-2-yl)methanamine
CID 82230271
2-(4-decoxyphenyl)-5-octyl-1,3-benzoxazole
CID 19021149
6-decyl-N-[(3R)-pyrrolidin-3-yl]-1,3-benzoxazol-2-amine
CID 169298595
1-(5-butyl-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 115493598
N-(hydrazinylmethyl)-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine
CID 115261332
5-hexyl-1,3-benzoxazole
CID 90964458
2-butyl-5-chloro-1,3-benzoxazole
CID 3726019

Frequently Asked Questions

What is the IUPAC name of (5-butyl-1,3-benzoxazol-2-yl)hydrazine?
The IUPAC name of (5-butyl-1,3-benzoxazol-2-yl)hydrazine (CID 82230351) is (5-butyl-1,3-benzoxazol-2-yl)hydrazine.
What is the SMILES notation for (5-butyl-1,3-benzoxazol-2-yl)hydrazine?
The canonical SMILES for (5-butyl-1,3-benzoxazol-2-yl)hydrazine is CCCCc1ccc2oc(NN)nc2c1.
What is the InChIKey of (5-butyl-1,3-benzoxazol-2-yl)hydrazine?
The InChIKey is NUFJZMYWCHFOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-3-4-8-5-6-10-9(7-8)13-11(14-12)15-10/h5-7H,2-4,12H2,1H3,(H,13,14).
What are the key properties of (5-butyl-1,3-benzoxazol-2-yl)hydrazine?
(5-butyl-1,3-benzoxazol-2-yl)hydrazine has a molecular weight of 205.26 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butyl-1,3-benzoxazol-2-yl)hydrazine is sourced from PubChem (CID 82230351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).