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

C12H15F2NO4 — CID 114226770

IUPACmethyl 2-(3,3-difluorocyclopentyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
SMILESCOCc1nc(C2CCC(F)(F)C2)oc1C(=O)OC
InChIInChI=1S/C12H15F2NO4/c1-17-6-8-9(11(16)18-2)19-10(15-8)7-3-4-12(13,14)5-7/h7H,3-6H2,1-2H3
InChIKeyYDKRONWGKCSWQV-UHFFFAOYSA-N
MW275.25 g/mol
LogP2.51
Rot. Bonds4

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

methyl 2-(3,3-difluorocyclopentyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate (PubChem CID 114226770) has the molecular formula C12H15F2NO4 and a molecular weight of 275.25 g/mol. Its IUPAC name is methyl 2-(3,3-difluorocyclopentyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3,3-difluorocyclopentyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
PubChem CID114226770
Molecular FormulaC12H15F2NO4
Molecular Weight275.25 g/mol
Exact Mass275.10
IUPAC Namemethyl 2-(3,3-difluorocyclopentyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
SMILESCOCc1nc(C2CCC(F)(F)C2)oc1C(=O)OC
InChIInChI=1S/C12H15F2NO4/c1-17-6-8-9(11(16)18-2)19-10(15-8)7-3-4-12(13,14)5-7/h7H,3-6H2,1-2H3
InChIKeyYDKRONWGKCSWQV-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,3-difluorocyclopentyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 2-(3,3-difluorocyclopentyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate (CID 114226770) is methyl 2-(3,3-difluorocyclopentyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 2-(3,3-difluorocyclopentyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 2-(3,3-difluorocyclopentyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate is COCc1nc(C2CCC(F)(F)C2)oc1C(=O)OC.
What is the InChIKey of methyl 2-(3,3-difluorocyclopentyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate?
The InChIKey is YDKRONWGKCSWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO4/c1-17-6-8-9(11(16)18-2)19-10(15-8)7-3-4-12(13,14)5-7/h7H,3-6H2,1-2H3.
What are the key properties of methyl 2-(3,3-difluorocyclopentyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate?
methyl 2-(3,3-difluorocyclopentyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate has a molecular weight of 275.25 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,3-difluorocyclopentyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 114226770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).