methyl 2-(2,4-dimethyl-1,3-oxazol-5-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate

C12H14N2O5 — CID 114371640

IUPACmethyl 2-(2,4-dimethyl-1,3-oxazol-5-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
SMILESCOCc1nc(-c2oc(C)nc2C)oc1C(=O)OC
InChIInChI=1S/C12H14N2O5/c1-6-9(18-7(2)13-6)11-14-8(5-16-3)10(19-11)12(15)17-4/h5H2,1-4H3
InChIKeyDHDIVESGNQNJDI-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.88
Rot. Bonds4

About methyl 2-(2,4-dimethyl-1,3-oxazol-5-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate

methyl 2-(2,4-dimethyl-1,3-oxazol-5-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate (PubChem CID 114371640) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is methyl 2-(2,4-dimethyl-1,3-oxazol-5-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,4-dimethyl-1,3-oxazol-5-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
PubChem CID114371640
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Namemethyl 2-(2,4-dimethyl-1,3-oxazol-5-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
SMILESCOCc1nc(-c2oc(C)nc2C)oc1C(=O)OC
InChIInChI=1S/C12H14N2O5/c1-6-9(18-7(2)13-6)11-14-8(5-16-3)10(19-11)12(15)17-4/h5H2,1-4H3
InChIKeyDHDIVESGNQNJDI-UHFFFAOYSA-N
XLogP1.88
TPSA87.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-(2,4-dimethyl-1,3-oxazol-5-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate with MolForge

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Related Compounds

methyl 2-(2,5-dimethylphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
CID 114371735
methyl 4-(methoxymethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate
CID 114371759
methyl 2-butyl-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
CID 114371711
methyl 2-(3,4-difluorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
CID 114371667
methyl 2-(2,4-dichlorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
CID 114371700
methyl 4-ethyl-2-methyl-1,3-oxazole-5-carboxylate
CID 15093937
methyl 2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
CID 103167338
2-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114033584
methyl 2-(7-bicyclo[4.1.0]heptanyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
CID 114371958
methyl 2-(2,2-dimethylcyclohexyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
CID 107185683
4-tert-butyl-2-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid
CID 114372712
dimethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate
CID 104865012

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dimethyl-1,3-oxazol-5-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 2-(2,4-dimethyl-1,3-oxazol-5-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate (CID 114371640) is methyl 2-(2,4-dimethyl-1,3-oxazol-5-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2,4-dimethyl-1,3-oxazol-5-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 2-(2,4-dimethyl-1,3-oxazol-5-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate is COCc1nc(-c2oc(C)nc2C)oc1C(=O)OC.
What is the InChIKey of methyl 2-(2,4-dimethyl-1,3-oxazol-5-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate?
The InChIKey is DHDIVESGNQNJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-6-9(18-7(2)13-6)11-14-8(5-16-3)10(19-11)12(15)17-4/h5H2,1-4H3.
What are the key properties of methyl 2-(2,4-dimethyl-1,3-oxazol-5-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate?
methyl 2-(2,4-dimethyl-1,3-oxazol-5-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate has a molecular weight of 266.25 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dimethyl-1,3-oxazol-5-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 114371640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).