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

C14H17N3O2 — CID 2813090

IUPACN'-(4-tert-butylphenyl)-1,2-oxazole-5-carbohydrazide
SMILESCC(C)(C)c1ccc(NNC(=O)c2ccno2)cc1
InChIInChI=1S/C14H17N3O2/c1-14(2,3)10-4-6-11(7-5-10)16-17-13(18)12-8-9-15-19-12/h4-9,16H,1-3H3,(H,17,18)
InChIKeyQQEDQAXUJVWRHJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.73
Rot. Bonds3

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

N'-(4-tert-butylphenyl)-1,2-oxazole-5-carbohydrazide (PubChem CID 2813090) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N'-(4-tert-butylphenyl)-1,2-oxazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(4-tert-butylphenyl)-1,2-oxazole-5-carbohydrazide
PubChem CID2813090
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN'-(4-tert-butylphenyl)-1,2-oxazole-5-carbohydrazide
SMILESCC(C)(C)c1ccc(NNC(=O)c2ccno2)cc1
InChIInChI=1S/C14H17N3O2/c1-14(2,3)10-4-6-11(7-5-10)16-17-13(18)12-8-9-15-19-12/h4-9,16H,1-3H3,(H,17,18)
InChIKeyQQEDQAXUJVWRHJ-UHFFFAOYSA-N
XLogP2.73
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.73
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
N'-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carbohydrazide
CID 2811205
N'-(4-tert-butylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide
CID 2813087
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-(4-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide
CID 58591853
N-(4-ethylphenyl)-1,2-oxazole-5-carboxamide
CID 110693634

Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylphenyl)-1,2-oxazole-5-carbohydrazide?
The IUPAC name of N'-(4-tert-butylphenyl)-1,2-oxazole-5-carbohydrazide (CID 2813090) is N'-(4-tert-butylphenyl)-1,2-oxazole-5-carbohydrazide.
What is the SMILES notation for N'-(4-tert-butylphenyl)-1,2-oxazole-5-carbohydrazide?
The canonical SMILES for N'-(4-tert-butylphenyl)-1,2-oxazole-5-carbohydrazide is CC(C)(C)c1ccc(NNC(=O)c2ccno2)cc1.
What is the InChIKey of N'-(4-tert-butylphenyl)-1,2-oxazole-5-carbohydrazide?
The InChIKey is QQEDQAXUJVWRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(2,3)10-4-6-11(7-5-10)16-17-13(18)12-8-9-15-19-12/h4-9,16H,1-3H3,(H,17,18).
What are the key properties of N'-(4-tert-butylphenyl)-1,2-oxazole-5-carbohydrazide?
N'-(4-tert-butylphenyl)-1,2-oxazole-5-carbohydrazide has a molecular weight of 259.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butylphenyl)-1,2-oxazole-5-carbohydrazide is sourced from PubChem (CID 2813090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).