[5-(1,3-benzoxazol-2-yl)-2-cyclopropylphenyl]hydrazine

C16H15N3O — CID 174653624

IUPAC[5-(1,3-benzoxazol-2-yl)-2-cyclopropylphenyl]hydrazine
SMILESNNc1cc(-c2nc3ccccc3o2)ccc1C1CC1
InChIInChI=1S/C16H15N3O/c17-19-14-9-11(7-8-12(14)10-5-6-10)16-18-13-3-1-2-4-15(13)20-16/h1-4,7-10,19H,5-6,17H2
InChIKeyUYNLUURVTNAVSC-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.66
Rot. Bonds3

About [5-(1,3-benzoxazol-2-yl)-2-cyclopropylphenyl]hydrazine

[5-(1,3-benzoxazol-2-yl)-2-cyclopropylphenyl]hydrazine (PubChem CID 174653624) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is [5-(1,3-benzoxazol-2-yl)-2-cyclopropylphenyl]hydrazine.

Molecular Properties

Compound Name[5-(1,3-benzoxazol-2-yl)-2-cyclopropylphenyl]hydrazine
PubChem CID174653624
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name[5-(1,3-benzoxazol-2-yl)-2-cyclopropylphenyl]hydrazine
SMILESNNc1cc(-c2nc3ccccc3o2)ccc1C1CC1
InChIInChI=1S/C16H15N3O/c17-19-14-9-11(7-8-12(14)10-5-6-10)16-18-13-3-1-2-4-15(13)20-16/h1-4,7-10,19H,5-6,17H2
InChIKeyUYNLUURVTNAVSC-UHFFFAOYSA-N
XLogP3.66
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.66
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

[5-(1,3-benzoxazol-2-yl)-2-(2-phenylethyl)phenyl]hydrazine
CID 174653712
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-(3H-1,2-benzodioxol-6-yl)-1,3-benzoxazole
CID 23617976
2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole
CID 171056346
6-deuterio-2-naphthalen-2-yl-1,3-benzoxazole
CID 175983343
methyl 4-[2-[4-(1,3-benzoxazol-2-yl)-2-hydrazinylphenyl]ethyl]benzoate
CID 175273695
2-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681660
2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole
CID 166583056
[3-[4-[3-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-trimethylsilane
CID 171056408
3-(1,3-benzoxazol-2-yl)benzamide
CID 21105138
N-[2-[2-acetamido-5-(1,3-benzoxazol-2-yl)phenyl]-4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 10815304
2-(3,5-diphenylphenyl)-1,3-benzoxazole
CID 134237405

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-benzoxazol-2-yl)-2-cyclopropylphenyl]hydrazine?
The IUPAC name of [5-(1,3-benzoxazol-2-yl)-2-cyclopropylphenyl]hydrazine (CID 174653624) is [5-(1,3-benzoxazol-2-yl)-2-cyclopropylphenyl]hydrazine.
What is the SMILES notation for [5-(1,3-benzoxazol-2-yl)-2-cyclopropylphenyl]hydrazine?
The canonical SMILES for [5-(1,3-benzoxazol-2-yl)-2-cyclopropylphenyl]hydrazine is NNc1cc(-c2nc3ccccc3o2)ccc1C1CC1.
What is the InChIKey of [5-(1,3-benzoxazol-2-yl)-2-cyclopropylphenyl]hydrazine?
The InChIKey is UYNLUURVTNAVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-19-14-9-11(7-8-12(14)10-5-6-10)16-18-13-3-1-2-4-15(13)20-16/h1-4,7-10,19H,5-6,17H2.
What are the key properties of [5-(1,3-benzoxazol-2-yl)-2-cyclopropylphenyl]hydrazine?
[5-(1,3-benzoxazol-2-yl)-2-cyclopropylphenyl]hydrazine has a molecular weight of 265.32 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-benzoxazol-2-yl)-2-cyclopropylphenyl]hydrazine is sourced from PubChem (CID 174653624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).