4-(2-formyl-5H-1,3-oxazol-2-yl)benzohydrazide

C11H11N3O3 — CID 174344858

IUPAC4-(2-formyl-5H-1,3-oxazol-2-yl)benzohydrazide
SMILESNNC(=O)c1ccc(C2(C=O)N=CCO2)cc1
InChIInChI=1S/C11H11N3O3/c12-14-10(16)8-1-3-9(4-2-8)11(7-15)13-5-6-17-11/h1-5,7H,6,12H2,(H,14,16)
InChIKeyUIBPFUVVRXDIMD-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.26
Rot. Bonds3

About 4-(2-formyl-5H-1,3-oxazol-2-yl)benzohydrazide

4-(2-formyl-5H-1,3-oxazol-2-yl)benzohydrazide (PubChem CID 174344858) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-(2-formyl-5H-1,3-oxazol-2-yl)benzohydrazide.

Molecular Properties

Compound Name4-(2-formyl-5H-1,3-oxazol-2-yl)benzohydrazide
PubChem CID174344858
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name4-(2-formyl-5H-1,3-oxazol-2-yl)benzohydrazide
SMILESNNC(=O)c1ccc(C2(C=O)N=CCO2)cc1
InChIInChI=1S/C11H11N3O3/c12-14-10(16)8-1-3-9(4-2-8)11(7-15)13-5-6-17-11/h1-5,7H,6,12H2,(H,14,16)
InChIKeyUIBPFUVVRXDIMD-UHFFFAOYSA-N
XLogP-0.26
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-formyl-5H-1,3-oxazol-2-yl)benzohydrazide?
The IUPAC name of 4-(2-formyl-5H-1,3-oxazol-2-yl)benzohydrazide (CID 174344858) is 4-(2-formyl-5H-1,3-oxazol-2-yl)benzohydrazide.
What is the SMILES notation for 4-(2-formyl-5H-1,3-oxazol-2-yl)benzohydrazide?
The canonical SMILES for 4-(2-formyl-5H-1,3-oxazol-2-yl)benzohydrazide is NNC(=O)c1ccc(C2(C=O)N=CCO2)cc1.
What is the InChIKey of 4-(2-formyl-5H-1,3-oxazol-2-yl)benzohydrazide?
The InChIKey is UIBPFUVVRXDIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c12-14-10(16)8-1-3-9(4-2-8)11(7-15)13-5-6-17-11/h1-5,7H,6,12H2,(H,14,16).
What are the key properties of 4-(2-formyl-5H-1,3-oxazol-2-yl)benzohydrazide?
4-(2-formyl-5H-1,3-oxazol-2-yl)benzohydrazide has a molecular weight of 233.23 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-formyl-5H-1,3-oxazol-2-yl)benzohydrazide is sourced from PubChem (CID 174344858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).