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

C12H13N3O2 — CID 2812370

IUPACN'-(2,4-dimethylphenyl)-1,2-oxazole-5-carbohydrazide
SMILESCc1ccc(NNC(=O)c2ccno2)c(C)c1
InChIInChI=1S/C12H13N3O2/c1-8-3-4-10(9(2)7-8)14-15-12(16)11-5-6-13-17-11/h3-7,14H,1-2H3,(H,15,16)
InChIKeyYGUYDNHVANJKQC-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.05
Rot. Bonds3

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

N'-(2,4-dimethylphenyl)-1,2-oxazole-5-carbohydrazide (PubChem CID 2812370) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N'-(2,4-dimethylphenyl)-1,2-oxazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2,4-dimethylphenyl)-1,2-oxazole-5-carbohydrazide
PubChem CID2812370
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN'-(2,4-dimethylphenyl)-1,2-oxazole-5-carbohydrazide
SMILESCc1ccc(NNC(=O)c2ccno2)c(C)c1
InChIInChI=1S/C12H13N3O2/c1-8-3-4-10(9(2)7-8)14-15-12(16)11-5-6-13-17-11/h3-7,14H,1-2H3,(H,15,16)
InChIKeyYGUYDNHVANJKQC-UHFFFAOYSA-N
XLogP2.05
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.05
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'-(2,4-dimethylphenyl)-1,2-oxazole-5-carbohydrazide?
The IUPAC name of N'-(2,4-dimethylphenyl)-1,2-oxazole-5-carbohydrazide (CID 2812370) is N'-(2,4-dimethylphenyl)-1,2-oxazole-5-carbohydrazide.
What is the SMILES notation for N'-(2,4-dimethylphenyl)-1,2-oxazole-5-carbohydrazide?
The canonical SMILES for N'-(2,4-dimethylphenyl)-1,2-oxazole-5-carbohydrazide is Cc1ccc(NNC(=O)c2ccno2)c(C)c1.
What is the InChIKey of N'-(2,4-dimethylphenyl)-1,2-oxazole-5-carbohydrazide?
The InChIKey is YGUYDNHVANJKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-3-4-10(9(2)7-8)14-15-12(16)11-5-6-13-17-11/h3-7,14H,1-2H3,(H,15,16).
What are the key properties of N'-(2,4-dimethylphenyl)-1,2-oxazole-5-carbohydrazide?
N'-(2,4-dimethylphenyl)-1,2-oxazole-5-carbohydrazide has a molecular weight of 231.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethylphenyl)-1,2-oxazole-5-carbohydrazide is sourced from PubChem (CID 2812370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).