methyl 2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate

C12H17NO4 — CID 103167338

IUPACmethyl 2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
SMILESCOCc1nc(CC2CCC2)oc1C(=O)OC
InChIInChI=1S/C12H17NO4/c1-15-7-9-11(12(14)16-2)17-10(13-9)6-8-4-3-5-8/h8H,3-7H2,1-2H3
InChIKeyZQOOIFLCZAAELA-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.95
Rot. Bonds5

About methyl 2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate

methyl 2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate (PubChem CID 103167338) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
PubChem CID103167338
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Namemethyl 2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
SMILESCOCc1nc(CC2CCC2)oc1C(=O)OC
InChIInChI=1S/C12H17NO4/c1-15-7-9-11(12(14)16-2)17-10(13-9)6-8-4-3-5-8/h8H,3-7H2,1-2H3
InChIKeyZQOOIFLCZAAELA-UHFFFAOYSA-N
XLogP1.95
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(cyclopentylmethyl)-4-methyl-1,3-oxazole-5-carboxylate
CID 65710035
Diethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate
CID 232659
Ethyl 4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carboxylate
CID 81935398
Ethyl 2-(4,4-difluorocyclohexyl)-4-methyl-1,3-oxazole-5-carboxylate
CID 81934558
Ethyl 4-methyl-2-[3-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carboxylate
CID 81935421
Dimethyl 2-(4,4-difluorocyclohexyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953691
Ethyl 2-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199071
Ethyl 4-(difluoromethyl)-2-(1-methylcyclopentyl)-1,3-oxazole-5-carboxylate
CID 103199076
Ethyl 4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylate
CID 103199080
Ethyl 4-(difluoromethyl)-2-(2-methylbutyl)-1,3-oxazole-5-carboxylate
CID 103199083
Ethyl 2-cyclobutyl-4-(difluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199086
Ethyl 2-(cyclohexylmethyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199090

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate (CID 103167338) is methyl 2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate is COCc1nc(CC2CCC2)oc1C(=O)OC.
What is the InChIKey of methyl 2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate?
The InChIKey is ZQOOIFLCZAAELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-15-7-9-11(12(14)16-2)17-10(13-9)6-8-4-3-5-8/h8H,3-7H2,1-2H3.
What are the key properties of methyl 2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate?
methyl 2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate has a molecular weight of 239.27 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 103167338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).