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

C11H13N3O3 — CID 107975898

IUPACethyl 4-methyl-2-(1-methylimidazol-4-yl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2cn(C)cn2)nc1C
InChIInChI=1S/C11H13N3O3/c1-4-16-11(15)9-7(2)13-10(17-9)8-5-14(3)6-12-8/h5-6H,4H2,1-3H3
InChIKeyCDULDRQRSMLJTR-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.56
Rot. Bonds3

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

ethyl 4-methyl-2-(1-methylimidazol-4-yl)-1,3-oxazole-5-carboxylate (PubChem CID 107975898) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is ethyl 4-methyl-2-(1-methylimidazol-4-yl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(1-methylimidazol-4-yl)-1,3-oxazole-5-carboxylate
PubChem CID107975898
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Nameethyl 4-methyl-2-(1-methylimidazol-4-yl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2cn(C)cn2)nc1C
InChIInChI=1S/C11H13N3O3/c1-4-16-11(15)9-7(2)13-10(17-9)8-5-14(3)6-12-8/h5-6H,4H2,1-3H3
InChIKeyCDULDRQRSMLJTR-UHFFFAOYSA-N
XLogP1.56
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(4,5-dibromothiophen-2-yl)-4-methyl-1,3-oxazole-5-carboxylate
CID 80538117
ethyl 3-(1-methylimidazol-4-yl)-1H-1,2,4-triazole-5-carboxylate
CID 107974726
ethyl 2-chloro-4-(1-methylimidazol-4-yl)-1,3-thiazole-5-carboxylate
CID 59864652
ethyl 5-(1-methylimidazol-4-yl)-2H-triazole-4-carboxylate
CID 165462445
ethyl 2-(2-bromo-3-methylphenyl)-4-methyl-1,3-oxazole-5-carboxylate
CID 107984229
ethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-oxazole-5-carboxylate
CID 102580283
ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxylate
CID 23563116
ethyl 2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylate
CID 81284241
ethyl 2-(3-chlorothiophen-2-yl)-4-methyl-1,3-oxazole-5-carboxylate
CID 80641084
2-(1-methylimidazol-4-yl)-1,3-oxazole-4-carboxylic acid
CID 107974655
ethyl 2-(3,5-dimethylanilino)-4-methyl-1,3-oxazole-5-carboxylate
CID 139225271
4-methyl-2-(1-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylic acid
CID 103123488

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-(1-methylimidazol-4-yl)-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-(1-methylimidazol-4-yl)-1,3-oxazole-5-carboxylate (CID 107975898) is ethyl 4-methyl-2-(1-methylimidazol-4-yl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-(1-methylimidazol-4-yl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-(1-methylimidazol-4-yl)-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(-c2cn(C)cn2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-(1-methylimidazol-4-yl)-1,3-oxazole-5-carboxylate?
The InChIKey is CDULDRQRSMLJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-4-16-11(15)9-7(2)13-10(17-9)8-5-14(3)6-12-8/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 4-methyl-2-(1-methylimidazol-4-yl)-1,3-oxazole-5-carboxylate?
ethyl 4-methyl-2-(1-methylimidazol-4-yl)-1,3-oxazole-5-carboxylate has a molecular weight of 235.24 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(1-methylimidazol-4-yl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 107975898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).