ethyl 2-(3,5-dimethylanilino)-4-methyl-1,3-oxazole-5-carboxylate

C15H18N2O3 — CID 139225271

IUPACethyl 2-(3,5-dimethylanilino)-4-methyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(Nc2cc(C)cc(C)c2)nc1C
InChIInChI=1S/C15H18N2O3/c1-5-19-14(18)13-11(4)16-15(20-13)17-12-7-9(2)6-10(3)8-12/h6-8H,5H2,1-4H3,(H,16,17)
InChIKeyJZIXNMNAWNXMMH-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.52
Rot. Bonds4

About ethyl 2-(3,5-dimethylanilino)-4-methyl-1,3-oxazole-5-carboxylate

ethyl 2-(3,5-dimethylanilino)-4-methyl-1,3-oxazole-5-carboxylate (PubChem CID 139225271) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 2-(3,5-dimethylanilino)-4-methyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3,5-dimethylanilino)-4-methyl-1,3-oxazole-5-carboxylate
PubChem CID139225271
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nameethyl 2-(3,5-dimethylanilino)-4-methyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(Nc2cc(C)cc(C)c2)nc1C
InChIInChI=1S/C15H18N2O3/c1-5-19-14(18)13-11(4)16-15(20-13)17-12-7-9(2)6-10(3)8-12/h6-8H,5H2,1-4H3,(H,16,17)
InChIKeyJZIXNMNAWNXMMH-UHFFFAOYSA-N
XLogP3.52
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(3,5-dimethylanilino)-4-methyl-1,3-oxazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(3,5-dimethylanilino)-6-methylpyridazine-3-carboxylate
CID 126627413
ethyl 5-(3,5-dimethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79376443
ethyl 4-methyl-2-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxylate
CID 59823769
ethyl 2-(4,5-dibromothiophen-2-yl)-4-methyl-1,3-oxazole-5-carboxylate
CID 80538117
ethyl 2-(2-bromo-3-methylphenyl)-4-methyl-1,3-oxazole-5-carboxylate
CID 107984229
ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoate
CID 7113437
ethyl 4-methyl-2-(1-methylimidazol-4-yl)-1,3-oxazole-5-carboxylate
CID 107975898
ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate
CID 46859841
ethyl 2-(2,6-dibromo-4-methylanilino)-1,3-thiazole-4-carboxylate
CID 80567895
ethyl 3-(4-bromophenyl)-5-(3,5-dimethylphenyl)furan-2-carboxylate
CID 24750262
ethyl 4-methyl-2-(2-oxopropyl)-1,3-oxazole-5-carboxylate;4-methyl-2-(2-oxopropyl)-1,3-oxazole-5-carboxylic acid
CID 159865521
ethyl 3-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxylate
CID 163218066

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-dimethylanilino)-4-methyl-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-(3,5-dimethylanilino)-4-methyl-1,3-oxazole-5-carboxylate (CID 139225271) is ethyl 2-(3,5-dimethylanilino)-4-methyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(3,5-dimethylanilino)-4-methyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-(3,5-dimethylanilino)-4-methyl-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(Nc2cc(C)cc(C)c2)nc1C.
What is the InChIKey of ethyl 2-(3,5-dimethylanilino)-4-methyl-1,3-oxazole-5-carboxylate?
The InChIKey is JZIXNMNAWNXMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-5-19-14(18)13-11(4)16-15(20-13)17-12-7-9(2)6-10(3)8-12/h6-8H,5H2,1-4H3,(H,16,17).
What are the key properties of ethyl 2-(3,5-dimethylanilino)-4-methyl-1,3-oxazole-5-carboxylate?
ethyl 2-(3,5-dimethylanilino)-4-methyl-1,3-oxazole-5-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-dimethylanilino)-4-methyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 139225271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).