methyl 5-[2-(2,4-dimethyl-1,3-oxazole-5-carbonyl)hydrazinyl]-2-methylbenzoate

C15H17N3O4 — CID 125419722

IUPACmethyl 5-[2-(2,4-dimethyl-1,3-oxazole-5-carbonyl)hydrazinyl]-2-methylbenzoate
SMILESCOC(=O)c1cc(NNC(=O)c2oc(C)nc2C)ccc1C
InChIInChI=1S/C15H17N3O4/c1-8-5-6-11(7-12(8)15(20)21-4)17-18-14(19)13-9(2)16-10(3)22-13/h5-7,17H,1-4H3,(H,18,19)
InChIKeyIIMVLJMMMZRHFL-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.14
Rot. Bonds4

About methyl 5-[2-(2,4-dimethyl-1,3-oxazole-5-carbonyl)hydrazinyl]-2-methylbenzoate

methyl 5-[2-(2,4-dimethyl-1,3-oxazole-5-carbonyl)hydrazinyl]-2-methylbenzoate (PubChem CID 125419722) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is methyl 5-[2-(2,4-dimethyl-1,3-oxazole-5-carbonyl)hydrazinyl]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 5-[2-(2,4-dimethyl-1,3-oxazole-5-carbonyl)hydrazinyl]-2-methylbenzoate
PubChem CID125419722
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Namemethyl 5-[2-(2,4-dimethyl-1,3-oxazole-5-carbonyl)hydrazinyl]-2-methylbenzoate
SMILESCOC(=O)c1cc(NNC(=O)c2oc(C)nc2C)ccc1C
InChIInChI=1S/C15H17N3O4/c1-8-5-6-11(7-12(8)15(20)21-4)17-18-14(19)13-9(2)16-10(3)22-13/h5-7,17H,1-4H3,(H,18,19)
InChIKeyIIMVLJMMMZRHFL-UHFFFAOYSA-N
XLogP2.14
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 4142231
(3-methoxycarbonyl-4-methylphenyl)carbamic acid
CID 175178489
2,4-dimethyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-oxazole-5-carboxamide
CID 79164756
2-chloro-4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoic acid
CID 81361370
ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoate
CID 7113437
methyl 2-methyl-5-(methylsulfanylamino)benzoate
CID 144982540
N-(2,6-dimethylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113442
N-(5-chloro-2-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113446
N-(4-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026171
N-(4-bromo-3-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 103824749
N-(1H-indazol-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684914
N-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79880788

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(2,4-dimethyl-1,3-oxazole-5-carbonyl)hydrazinyl]-2-methylbenzoate?
The IUPAC name of methyl 5-[2-(2,4-dimethyl-1,3-oxazole-5-carbonyl)hydrazinyl]-2-methylbenzoate (CID 125419722) is methyl 5-[2-(2,4-dimethyl-1,3-oxazole-5-carbonyl)hydrazinyl]-2-methylbenzoate.
What is the SMILES notation for methyl 5-[2-(2,4-dimethyl-1,3-oxazole-5-carbonyl)hydrazinyl]-2-methylbenzoate?
The canonical SMILES for methyl 5-[2-(2,4-dimethyl-1,3-oxazole-5-carbonyl)hydrazinyl]-2-methylbenzoate is COC(=O)c1cc(NNC(=O)c2oc(C)nc2C)ccc1C.
What is the InChIKey of methyl 5-[2-(2,4-dimethyl-1,3-oxazole-5-carbonyl)hydrazinyl]-2-methylbenzoate?
The InChIKey is IIMVLJMMMZRHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-8-5-6-11(7-12(8)15(20)21-4)17-18-14(19)13-9(2)16-10(3)22-13/h5-7,17H,1-4H3,(H,18,19).
What are the key properties of methyl 5-[2-(2,4-dimethyl-1,3-oxazole-5-carbonyl)hydrazinyl]-2-methylbenzoate?
methyl 5-[2-(2,4-dimethyl-1,3-oxazole-5-carbonyl)hydrazinyl]-2-methylbenzoate has a molecular weight of 303.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(2,4-dimethyl-1,3-oxazole-5-carbonyl)hydrazinyl]-2-methylbenzoate is sourced from PubChem (CID 125419722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).