ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazole-4-carboxylate

C12H15N3O3 — CID 114203747

IUPACethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(Cc2c(C)noc2C)cn1
InChIInChI=1S/C12H15N3O3/c1-4-17-12(16)11-6-15(7-13-11)5-10-8(2)14-18-9(10)3/h6-7H,4-5H2,1-3H3
InChIKeyHQMQENPRHHIXLC-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.71
Rot. Bonds4

About ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazole-4-carboxylate

ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazole-4-carboxylate (PubChem CID 114203747) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazole-4-carboxylate
PubChem CID114203747
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Nameethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(Cc2c(C)noc2C)cn1
InChIInChI=1S/C12H15N3O3/c1-4-17-12(16)11-6-15(7-13-11)5-10-8(2)14-18-9(10)3/h6-7H,4-5H2,1-3H3
InChIKeyHQMQENPRHHIXLC-UHFFFAOYSA-N
XLogP1.71
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(1-Ethoxyethyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 84592407
4-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine
CID 97390281
(4aR,7aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-[(3-methylimidazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97402824
US10858362, Example 81
CID 122652408
(5,7-Dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 71944494
4-[[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-3,5-dimethyl-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 155825688
4-[[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-3,5-dimethyl-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 155829940
4-[[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-3,5-dimethyl-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 155846137
4-[[6-(Methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 131646984
4-[[6-(Ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 131651095
4-[[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 131652302
7-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one;methane
CID 159154161

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazole-4-carboxylate (CID 114203747) is ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazole-4-carboxylate is CCOC(=O)c1cn(Cc2c(C)noc2C)cn1.
What is the InChIKey of ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazole-4-carboxylate?
The InChIKey is HQMQENPRHHIXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-4-17-12(16)11-6-15(7-13-11)5-10-8(2)14-18-9(10)3/h6-7H,4-5H2,1-3H3.
What are the key properties of ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazole-4-carboxylate?
ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazole-4-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazole-4-carboxylate is sourced from PubChem (CID 114203747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).