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

C13H15N3O2 — CID 2811460

IUPACN'-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbohydrazide
SMILESCC(C)c1ccc(NNC(=O)c2ccno2)cc1
InChIInChI=1S/C13H15N3O2/c1-9(2)10-3-5-11(6-4-10)15-16-13(17)12-7-8-14-18-12/h3-9,15H,1-2H3,(H,16,17)
InChIKeyKBIRMHUQGDTEBP-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.55
Rot. Bonds4

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

N'-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbohydrazide (PubChem CID 2811460) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N'-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbohydrazide
PubChem CID2811460
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN'-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbohydrazide
SMILESCC(C)c1ccc(NNC(=O)c2ccno2)cc1
InChIInChI=1S/C13H15N3O2/c1-9(2)10-3-5-11(6-4-10)15-16-13(17)12-7-8-14-18-12/h3-9,15H,1-2H3,(H,16,17)
InChIKeyKBIRMHUQGDTEBP-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
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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Related Compounds

N'-(3-chloro-4-methylphenyl)-5-isoxazolecarbohydrazide
CID 2811332
N'-(2,4-dimethylphenyl)-5-isoxazolecarbohydrazide
CID 2812370
N'-(3,4-dimethylphenyl)-5-isoxazolecarbohydrazide
CID 2812486
N'-(2-fluorophenyl)-1,2-oxazole-5-carbohydrazide
CID 2812150
5-Isoxazolecarboxylic acid, 3-methyl-, 2-benzylhydrazide
CID 14141
N'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carbohydrazide
CID 2811205
N'-(4-tert-butylphenyl)-1,2-oxazole-5-carbohydrazide
CID 2813090
5-methyl-N'-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbohydrazide
CID 53705892
N'-(2-fluorobenzoyl)-1,2-oxazole-5-carbohydrazide
CID 68713625
N'-(4-fluorophenyl)-1,2-oxazole-5-carbohydrazide
CID 2812135
N'-(4-chloro-2-methylphenyl)-1,2-oxazole-5-carbohydrazide
CID 2811347
N-(p-tolyl)isoxazole-5-carboxamide
CID 40805346

Frequently Asked Questions

What is the IUPAC name of N'-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbohydrazide?
The IUPAC name of N'-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbohydrazide (CID 2811460) is N'-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbohydrazide.
What is the SMILES notation for N'-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbohydrazide?
The canonical SMILES for N'-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbohydrazide is CC(C)c1ccc(NNC(=O)c2ccno2)cc1.
What is the InChIKey of N'-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbohydrazide?
The InChIKey is KBIRMHUQGDTEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9(2)10-3-5-11(6-4-10)15-16-13(17)12-7-8-14-18-12/h3-9,15H,1-2H3,(H,16,17).
What are the key properties of N'-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbohydrazide?
N'-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbohydrazide has a molecular weight of 245.28 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbohydrazide is sourced from PubChem (CID 2811460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).