5-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carbohydrazide

C12H13N3O2 — CID 143510979

IUPAC5-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carbohydrazide
SMILESCc1cccc(N(N)C(=O)c2cc(C)on2)c1
InChIInChI=1S/C12H13N3O2/c1-8-4-3-5-10(6-8)15(13)12(16)11-7-9(2)17-14-11/h3-7H,13H2,1-2H3
InChIKeyNCFDROSXDVLMLY-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.81
Rot. Bonds2

About 5-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carbohydrazide

5-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carbohydrazide (PubChem CID 143510979) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carbohydrazide
PubChem CID143510979
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name5-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carbohydrazide
SMILESCc1cccc(N(N)C(=O)c2cc(C)on2)c1
InChIInChI=1S/C12H13N3O2/c1-8-4-3-5-10(6-8)15(13)12(16)11-7-9(2)17-14-11/h3-7H,13H2,1-2H3
InChIKeyNCFDROSXDVLMLY-UHFFFAOYSA-N
XLogP1.81
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylphenyl)pyridine-2-carbohydrazide
CID 154695702
N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51112446
N-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)acetamide
CID 110428661
N-ethyl-N,5-dimethyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 130615848
5-methyl-N,N-bis(prop-2-enyl)-1,2-oxazole-3-carboxamide
CID 25237561
N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)propanamide
CID 109042848
3-(N-ethyl-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109042852
N-methoxy-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 45099367
N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51073091
N-benzyl-N-(2-bromoethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 80661970
N-(2-bromoethyl)-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide
CID 80660169
1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-3-(3-methylphenyl)thiourea
CID 843903

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carbohydrazide (CID 143510979) is 5-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carbohydrazide is Cc1cccc(N(N)C(=O)c2cc(C)on2)c1.
What is the InChIKey of 5-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carbohydrazide?
The InChIKey is NCFDROSXDVLMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-4-3-5-10(6-8)15(13)12(16)11-7-9(2)17-14-11/h3-7H,13H2,1-2H3.
What are the key properties of 5-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carbohydrazide?
5-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carbohydrazide has a molecular weight of 231.25 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 143510979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).