[(2R)-2-methyloxolan-2-yl]methyl 2-cyclopropyl-1,3-oxazole-4-carboxylate

C13H17NO4 — CID 99800522

IUPAC[(2R)-2-methyloxolan-2-yl]methyl 2-cyclopropyl-1,3-oxazole-4-carboxylate
SMILESC[C@]1(COC(=O)c2coc(C3CC3)n2)CCCO1
InChIInChI=1S/C13H17NO4/c1-13(5-2-6-18-13)8-17-12(15)10-7-16-11(14-10)9-3-4-9/h7,9H,2-6,8H2,1H3/t13-/m1/s1
InChIKeyOCMCFDXZIOCLHW-CYBMUJFWSA-N
MW251.28 g/mol
LogP2.28
Rot. Bonds4

About [(2R)-2-methyloxolan-2-yl]methyl 2-cyclopropyl-1,3-oxazole-4-carboxylate

[(2R)-2-methyloxolan-2-yl]methyl 2-cyclopropyl-1,3-oxazole-4-carboxylate (PubChem CID 99800522) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is [(2R)-2-methyloxolan-2-yl]methyl 2-cyclopropyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name[(2R)-2-methyloxolan-2-yl]methyl 2-cyclopropyl-1,3-oxazole-4-carboxylate
PubChem CID99800522
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name[(2R)-2-methyloxolan-2-yl]methyl 2-cyclopropyl-1,3-oxazole-4-carboxylate
SMILESC[C@]1(COC(=O)c2coc(C3CC3)n2)CCCO1
InChIInChI=1S/C13H17NO4/c1-13(5-2-6-18-13)8-17-12(15)10-7-16-11(14-10)9-3-4-9/h7,9H,2-6,8H2,1H3/t13-/m1/s1
InChIKeyOCMCFDXZIOCLHW-CYBMUJFWSA-N
XLogP2.28
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methyloxolan-2-yl]methyl 2-cyclopropyl-1,3-oxazole-4-carboxylate?
The IUPAC name of [(2R)-2-methyloxolan-2-yl]methyl 2-cyclopropyl-1,3-oxazole-4-carboxylate (CID 99800522) is [(2R)-2-methyloxolan-2-yl]methyl 2-cyclopropyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for [(2R)-2-methyloxolan-2-yl]methyl 2-cyclopropyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for [(2R)-2-methyloxolan-2-yl]methyl 2-cyclopropyl-1,3-oxazole-4-carboxylate is C[C@]1(COC(=O)c2coc(C3CC3)n2)CCCO1.
What is the InChIKey of [(2R)-2-methyloxolan-2-yl]methyl 2-cyclopropyl-1,3-oxazole-4-carboxylate?
The InChIKey is OCMCFDXZIOCLHW-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17NO4/c1-13(5-2-6-18-13)8-17-12(15)10-7-16-11(14-10)9-3-4-9/h7,9H,2-6,8H2,1H3/t13-/m1/s1.
What are the key properties of [(2R)-2-methyloxolan-2-yl]methyl 2-cyclopropyl-1,3-oxazole-4-carboxylate?
[(2R)-2-methyloxolan-2-yl]methyl 2-cyclopropyl-1,3-oxazole-4-carboxylate has a molecular weight of 251.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methyloxolan-2-yl]methyl 2-cyclopropyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 99800522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).