N'-(2-ethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide

C13H15N3O2 — CID 2811989

IUPACN'-(2-ethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide
SMILESCCc1ccccc1NNC(=O)c1cc(C)on1
InChIInChI=1S/C13H15N3O2/c1-3-10-6-4-5-7-11(10)14-15-13(17)12-8-9(2)18-16-12/h4-8,14H,3H2,1-2H3,(H,15,17)
InChIKeyKSVPKSLFSHRYCX-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.30
Rot. Bonds4

About N'-(2-ethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide

N'-(2-ethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide (PubChem CID 2811989) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N'-(2-ethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-ethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide
PubChem CID2811989
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN'-(2-ethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide
SMILESCCc1ccccc1NNC(=O)c1cc(C)on1
InChIInChI=1S/C13H15N3O2/c1-3-10-6-4-5-7-11(10)14-15-13(17)12-8-9(2)18-16-12/h4-8,14H,3H2,1-2H3,(H,15,17)
InChIKeyKSVPKSLFSHRYCX-UHFFFAOYSA-N
XLogP2.30
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.30
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-ethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
The IUPAC name of N'-(2-ethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide (CID 2811989) is N'-(2-ethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for N'-(2-ethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for N'-(2-ethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide is CCc1ccccc1NNC(=O)c1cc(C)on1.
What is the InChIKey of N'-(2-ethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
The InChIKey is KSVPKSLFSHRYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-10-6-4-5-7-11(10)14-15-13(17)12-8-9(2)18-16-12/h4-8,14H,3H2,1-2H3,(H,15,17).
What are the key properties of N'-(2-ethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
N'-(2-ethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide has a molecular weight of 245.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 2811989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).