N'-(4-chloro-2-methylphenyl)-1,2-oxazole-5-carbohydrazide

C11H10ClN3O2 — CID 2811347

IUPACN'-(4-chloro-2-methylphenyl)-1,2-oxazole-5-carbohydrazide
SMILESCc1cc(Cl)ccc1NNC(=O)c1ccno1
InChIInChI=1S/C11H10ClN3O2/c1-7-6-8(12)2-3-9(7)14-15-11(16)10-4-5-13-17-10/h2-6,14H,1H3,(H,15,16)
InChIKeyAVBWBWACJZWPJQ-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.39
Rot. Bonds3

About N'-(4-chloro-2-methylphenyl)-1,2-oxazole-5-carbohydrazide

N'-(4-chloro-2-methylphenyl)-1,2-oxazole-5-carbohydrazide (PubChem CID 2811347) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is N'-(4-chloro-2-methylphenyl)-1,2-oxazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chloro-2-methylphenyl)-1,2-oxazole-5-carbohydrazide
PubChem CID2811347
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC NameN'-(4-chloro-2-methylphenyl)-1,2-oxazole-5-carbohydrazide
SMILESCc1cc(Cl)ccc1NNC(=O)c1ccno1
InChIInChI=1S/C11H10ClN3O2/c1-7-6-8(12)2-3-9(7)14-15-11(16)10-4-5-13-17-10/h2-6,14H,1H3,(H,15,16)
InChIKeyAVBWBWACJZWPJQ-UHFFFAOYSA-N
XLogP2.39
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.39
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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Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methylphenyl)-1,2-oxazole-5-carbohydrazide?
The IUPAC name of N'-(4-chloro-2-methylphenyl)-1,2-oxazole-5-carbohydrazide (CID 2811347) is N'-(4-chloro-2-methylphenyl)-1,2-oxazole-5-carbohydrazide.
What is the SMILES notation for N'-(4-chloro-2-methylphenyl)-1,2-oxazole-5-carbohydrazide?
The canonical SMILES for N'-(4-chloro-2-methylphenyl)-1,2-oxazole-5-carbohydrazide is Cc1cc(Cl)ccc1NNC(=O)c1ccno1.
What is the InChIKey of N'-(4-chloro-2-methylphenyl)-1,2-oxazole-5-carbohydrazide?
The InChIKey is AVBWBWACJZWPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-7-6-8(12)2-3-9(7)14-15-11(16)10-4-5-13-17-10/h2-6,14H,1H3,(H,15,16).
What are the key properties of N'-(4-chloro-2-methylphenyl)-1,2-oxazole-5-carbohydrazide?
N'-(4-chloro-2-methylphenyl)-1,2-oxazole-5-carbohydrazide has a molecular weight of 251.67 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methylphenyl)-1,2-oxazole-5-carbohydrazide is sourced from PubChem (CID 2811347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).