N'-(1,3-benzoxazol-2-yl)benzohydrazide

C14H11N3O2 — CID 919235

IUPACN'-(1,3-benzoxazol-2-yl)benzohydrazide
SMILESO=C(NNc1nc2ccccc2o1)c1ccccc1
InChIInChI=1S/C14H11N3O2/c18-13(10-6-2-1-3-7-10)16-17-14-15-11-8-4-5-9-12(11)19-14/h1-9H,(H,15,17)(H,16,18)
InChIKeyXSCYPIMTGGCJGO-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.58
Rot. Bonds3

About N'-(1,3-benzoxazol-2-yl)benzohydrazide

N'-(1,3-benzoxazol-2-yl)benzohydrazide (PubChem CID 919235) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is N'-(1,3-benzoxazol-2-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(1,3-benzoxazol-2-yl)benzohydrazide
PubChem CID919235
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC NameN'-(1,3-benzoxazol-2-yl)benzohydrazide
SMILESO=C(NNc1nc2ccccc2o1)c1ccccc1
InChIInChI=1S/C14H11N3O2/c18-13(10-6-2-1-3-7-10)16-17-14-15-11-8-4-5-9-12(11)19-14/h1-9H,(H,15,17)(H,16,18)
InChIKeyXSCYPIMTGGCJGO-UHFFFAOYSA-N
XLogP2.58
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzenamine, 4-(2-benzoxazolyl)-
CID 88733
Benzoxazole, 2-(phenylmethyl)-
CID 16179
Benzoxazole, 2-phenyl-
CID 70030
1-(1,3-Benzoxazol-2-yl)guanidine
CID 222552
2-Aminobenzoxazole
CID 20707
2-(1,3-Benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one
CID 664331
N-phenyl-1,3-benzoxazol-2-amine
CID 243391
N-Acetyl-N'-(5-methyl-benzooxazol-2-yl)-guanidine
CID 5762132
Benzoxazole, 2-amino-5-fluoro-
CID 15516
N-methyl-1,3-benzoxazol-2-amine
CID 590605
N-(4-Ethylphenyl)-5-methylbenzo[d]oxazol-2-amine
CID 24759786
N-(4-ethylphenyl)-1,3-benzoxazol-2-amine
CID 39918957

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzoxazol-2-yl)benzohydrazide?
The IUPAC name of N'-(1,3-benzoxazol-2-yl)benzohydrazide (CID 919235) is N'-(1,3-benzoxazol-2-yl)benzohydrazide.
What is the SMILES notation for N'-(1,3-benzoxazol-2-yl)benzohydrazide?
The canonical SMILES for N'-(1,3-benzoxazol-2-yl)benzohydrazide is O=C(NNc1nc2ccccc2o1)c1ccccc1.
What is the InChIKey of N'-(1,3-benzoxazol-2-yl)benzohydrazide?
The InChIKey is XSCYPIMTGGCJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-13(10-6-2-1-3-7-10)16-17-14-15-11-8-4-5-9-12(11)19-14/h1-9H,(H,15,17)(H,16,18).
What are the key properties of N'-(1,3-benzoxazol-2-yl)benzohydrazide?
N'-(1,3-benzoxazol-2-yl)benzohydrazide has a molecular weight of 253.26 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzoxazol-2-yl)benzohydrazide is sourced from PubChem (CID 919235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).