5-(4-chlorophenyl)-1,3-oxazole-4-carbohydrazide

C10H8ClN3O2 — CID 2739497

IUPAC5-(4-chlorophenyl)-1,3-oxazole-4-carbohydrazide
SMILESNNC(=O)c1ncoc1-c1ccc(Cl)cc1
InChIInChI=1S/C10H8ClN3O2/c11-7-3-1-6(2-4-7)9-8(10(15)14-12)13-5-16-9/h1-5H,12H2,(H,14,15)
InChIKeyKFQZSOVNOURDLB-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.60
Rot. Bonds2

About 5-(4-chlorophenyl)-1,3-oxazole-4-carbohydrazide

5-(4-chlorophenyl)-1,3-oxazole-4-carbohydrazide (PubChem CID 2739497) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1,3-oxazole-4-carbohydrazide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1,3-oxazole-4-carbohydrazide
PubChem CID2739497
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name5-(4-chlorophenyl)-1,3-oxazole-4-carbohydrazide
SMILESNNC(=O)c1ncoc1-c1ccc(Cl)cc1
InChIInChI=1S/C10H8ClN3O2/c11-7-3-1-6(2-4-7)9-8(10(15)14-12)13-5-16-9/h1-5H,12H2,(H,14,15)
InChIKeyKFQZSOVNOURDLB-UHFFFAOYSA-N
XLogP1.60
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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 5-(4-chlorophenyl)-1,3-oxazole-4-carbohydrazide?
The IUPAC name of 5-(4-chlorophenyl)-1,3-oxazole-4-carbohydrazide (CID 2739497) is 5-(4-chlorophenyl)-1,3-oxazole-4-carbohydrazide.
What is the SMILES notation for 5-(4-chlorophenyl)-1,3-oxazole-4-carbohydrazide?
The canonical SMILES for 5-(4-chlorophenyl)-1,3-oxazole-4-carbohydrazide is NNC(=O)c1ncoc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1,3-oxazole-4-carbohydrazide?
The InChIKey is KFQZSOVNOURDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c11-7-3-1-6(2-4-7)9-8(10(15)14-12)13-5-16-9/h1-5H,12H2,(H,14,15).
What are the key properties of 5-(4-chlorophenyl)-1,3-oxazole-4-carbohydrazide?
5-(4-chlorophenyl)-1,3-oxazole-4-carbohydrazide has a molecular weight of 237.65 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1,3-oxazole-4-carbohydrazide is sourced from PubChem (CID 2739497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).