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

C12H14N2O3S — CID 102580283

IUPACethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2nc(C)c(C)s2)nc1C
InChIInChI=1S/C12H14N2O3S/c1-5-16-12(15)9-7(3)13-10(17-9)11-14-6(2)8(4)18-11/h5H2,1-4H3
InChIKeyPISVAPDFTVDSGW-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.90
Rot. Bonds3

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

ethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-oxazole-5-carboxylate (PubChem CID 102580283) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is ethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-oxazole-5-carboxylate
PubChem CID102580283
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Nameethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2nc(C)c(C)s2)nc1C
InChIInChI=1S/C12H14N2O3S/c1-5-16-12(15)9-7(3)13-10(17-9)11-14-6(2)8(4)18-11/h5H2,1-4H3
InChIKeyPISVAPDFTVDSGW-UHFFFAOYSA-N
XLogP2.90
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.90
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 2-(3-chlorothiophen-2-yl)-4-methyl-1,3-oxazole-5-carboxylate
CID 80641084
ethyl 4-methyl-2-(1-methylimidazol-4-yl)-1,3-oxazole-5-carboxylate
CID 107975898
ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxylate
CID 23563116
ethyl 2-(2-bromo-3-methylphenyl)-4-methyl-1,3-oxazole-5-carboxylate
CID 107984229
ethyl 4-methyl-2-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxylate
CID 59823769
ethyl 2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylate
CID 81284241
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 2-(3,5-dimethylanilino)-4-methyl-1,3-oxazole-5-carboxylate
CID 139225271
ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate
CID 53302340
ethyl 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 15642023
ethyl 5-methyl-2-(5-methylpyrimidin-2-yl)-1,3-thiazole-4-carboxylate
CID 116526280

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-oxazole-5-carboxylate (CID 102580283) is ethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(-c2nc(C)c(C)s2)nc1C.
What is the InChIKey of ethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-oxazole-5-carboxylate?
The InChIKey is PISVAPDFTVDSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-5-16-12(15)9-7(3)13-10(17-9)11-14-6(2)8(4)18-11/h5H2,1-4H3.
What are the key properties of ethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-oxazole-5-carboxylate?
ethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-oxazole-5-carboxylate has a molecular weight of 266.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 102580283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).