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

C15H19N3O2 — CID 2813087

IUPACN'-(4-tert-butylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)no1
InChIInChI=1S/C15H19N3O2/c1-10-9-13(18-20-10)14(19)17-16-12-7-5-11(6-8-12)15(2,3)4/h5-9,16H,1-4H3,(H,17,19)
InChIKeyQEROLLMQRCMNQM-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.04
Rot. Bonds3

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

N'-(4-tert-butylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide (PubChem CID 2813087) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N'-(4-tert-butylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-tert-butylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide
PubChem CID2813087
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN'-(4-tert-butylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)no1
InChIInChI=1S/C15H19N3O2/c1-10-9-13(18-20-10)14(19)17-16-12-7-5-11(6-8-12)15(2,3)4/h5-9,16H,1-4H3,(H,17,19)
InChIKeyQEROLLMQRCMNQM-UHFFFAOYSA-N
XLogP3.04
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.04
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'-(4-tert-butylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
The IUPAC name of N'-(4-tert-butylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide (CID 2813087) is N'-(4-tert-butylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for N'-(4-tert-butylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for N'-(4-tert-butylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide is Cc1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)no1.
What is the InChIKey of N'-(4-tert-butylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
The InChIKey is QEROLLMQRCMNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-9-13(18-20-10)14(19)17-16-12-7-5-11(6-8-12)15(2,3)4/h5-9,16H,1-4H3,(H,17,19).
What are the key properties of N'-(4-tert-butylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
N'-(4-tert-butylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide has a molecular weight of 273.34 g/mol, XLogP of 3.04, 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)-5-methyl-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 2813087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).