ethyl 4-(difluoromethyl)-2-(2-methyloxolan-3-yl)-1,3-oxazole-5-carboxylate

C12H15F2NO4 — CID 103199126

IUPACethyl 4-(difluoromethyl)-2-(2-methyloxolan-3-yl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(C2CCOC2C)nc1C(F)F
InChIInChI=1S/C12H15F2NO4/c1-3-17-12(16)9-8(10(13)14)15-11(19-9)7-4-5-18-6(7)2/h6-7,10H,3-5H2,1-2H3
InChIKeyJQQZUIVBHRCAFL-UHFFFAOYSA-N
MW275.25 g/mol
LogP2.68
Rot. Bonds4

About ethyl 4-(difluoromethyl)-2-(2-methyloxolan-3-yl)-1,3-oxazole-5-carboxylate

ethyl 4-(difluoromethyl)-2-(2-methyloxolan-3-yl)-1,3-oxazole-5-carboxylate (PubChem CID 103199126) has the molecular formula C12H15F2NO4 and a molecular weight of 275.25 g/mol. Its IUPAC name is ethyl 4-(difluoromethyl)-2-(2-methyloxolan-3-yl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(difluoromethyl)-2-(2-methyloxolan-3-yl)-1,3-oxazole-5-carboxylate
PubChem CID103199126
Molecular FormulaC12H15F2NO4
Molecular Weight275.25 g/mol
Exact Mass275.10
IUPAC Nameethyl 4-(difluoromethyl)-2-(2-methyloxolan-3-yl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(C2CCOC2C)nc1C(F)F
InChIInChI=1S/C12H15F2NO4/c1-3-17-12(16)9-8(10(13)14)15-11(19-9)7-4-5-18-6(7)2/h6-7,10H,3-5H2,1-2H3
InChIKeyJQQZUIVBHRCAFL-UHFFFAOYSA-N
XLogP2.68
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(difluoromethyl)-2-(2-methyloxolan-3-yl)-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 4-(difluoromethyl)-2-(2-methyloxolan-3-yl)-1,3-oxazole-5-carboxylate (CID 103199126) is ethyl 4-(difluoromethyl)-2-(2-methyloxolan-3-yl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(difluoromethyl)-2-(2-methyloxolan-3-yl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 4-(difluoromethyl)-2-(2-methyloxolan-3-yl)-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(C2CCOC2C)nc1C(F)F.
What is the InChIKey of ethyl 4-(difluoromethyl)-2-(2-methyloxolan-3-yl)-1,3-oxazole-5-carboxylate?
The InChIKey is JQQZUIVBHRCAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO4/c1-3-17-12(16)9-8(10(13)14)15-11(19-9)7-4-5-18-6(7)2/h6-7,10H,3-5H2,1-2H3.
What are the key properties of ethyl 4-(difluoromethyl)-2-(2-methyloxolan-3-yl)-1,3-oxazole-5-carboxylate?
ethyl 4-(difluoromethyl)-2-(2-methyloxolan-3-yl)-1,3-oxazole-5-carboxylate has a molecular weight of 275.25 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(difluoromethyl)-2-(2-methyloxolan-3-yl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 103199126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).