N'-(4-tert-butylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide

C21H23N3O2 — CID 2813092

IUPACN'-(4-tert-butylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2ccccc2)c1C(=O)NNc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H23N3O2/c1-14-18(19(24-26-14)15-8-6-5-7-9-15)20(25)23-22-17-12-10-16(11-13-17)21(2,3)4/h5-13,22H,1-4H3,(H,23,25)
InChIKeyMNLWGGZIEGVRFP-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.70
Rot. Bonds4

About N'-(4-tert-butylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide

N'-(4-tert-butylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide (PubChem CID 2813092) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N'-(4-tert-butylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-tert-butylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
PubChem CID2813092
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN'-(4-tert-butylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2ccccc2)c1C(=O)NNc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H23N3O2/c1-14-18(19(24-26-14)15-8-6-5-7-9-15)20(25)23-22-17-12-10-16(11-13-17)21(2,3)4/h5-13,22H,1-4H3,(H,23,25)
InChIKeyMNLWGGZIEGVRFP-UHFFFAOYSA-N
XLogP4.70
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.70
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'-(4-isopropylphenyl)-3,5-dimethyl-4-isoxazolecarbohydrazide
CID 2811457
5-methyl-3-phenyl-N'-(3-phenyl-2-propenylidene)-4-isoxazolecarbohydrazide
CID 9583373
(E)-N-[N'-(5-Methyl-3-phenyl-isoxazole-4-carbonyl)-hydrazinocarbothioyl]-3-phenyl-acrylamide
CID 5898209
5-Methyl-3-phenylisoxazole-4-carboxamide
CID 644844
N-(3-acetamidophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 649749
N'-(2-hydroxybenzoyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
CID 7535141
3-ethyl-N'-(4-ethylbenzoyl)-5-methyl-1,2-oxazole-4-carbohydrazide
CID 9377267
N'-(2-bromo-3-phenyl-2-propenylidene)-5-methyl-3-phenyl-4-isoxazolecarbohydrazide
CID 9563962
N'-[(E)-[4-(Diethylamino)phenyl]methylidene]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
CID 46497554
N''-benzoyl-3-ethyl-5-methyl-4-isoxazolecarbohydrazide
CID 40727884
N'4-phenyl-3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carbohydrazide
CID 2726143
5-methyl-N-(2-methylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 651124

Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of N'-(4-tert-butylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide (CID 2813092) is N'-(4-tert-butylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-tert-butylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for N'-(4-tert-butylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide is Cc1onc(-c2ccccc2)c1C(=O)NNc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N'-(4-tert-butylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide?
The InChIKey is MNLWGGZIEGVRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-18(19(24-26-14)15-8-6-5-7-9-15)20(25)23-22-17-12-10-16(11-13-17)21(2,3)4/h5-13,22H,1-4H3,(H,23,25).
What are the key properties of N'-(4-tert-butylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide?
N'-(4-tert-butylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide has a molecular weight of 349.43 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 2813092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).