methyl 2-[3-[(4-fluoropiperidin-4-yl)methoxy]-1,2-oxazol-5-yl]-3-methylbutanoate

C15H23FN2O4 — CID 169000156

IUPACmethyl 2-[3-[(4-fluoropiperidin-4-yl)methoxy]-1,2-oxazol-5-yl]-3-methylbutanoate
SMILESCOC(=O)C(c1cc(OCC2(F)CCNCC2)no1)C(C)C
InChIInChI=1S/C15H23FN2O4/c1-10(2)13(14(19)20-3)11-8-12(18-22-11)21-9-15(16)4-6-17-7-5-15/h8,10,13,17H,4-7,9H2,1-3H3
InChIKeyXRINUDDGNYUZOD-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.06
Rot. Bonds6

About methyl 2-[3-[(4-fluoropiperidin-4-yl)methoxy]-1,2-oxazol-5-yl]-3-methylbutanoate

methyl 2-[3-[(4-fluoropiperidin-4-yl)methoxy]-1,2-oxazol-5-yl]-3-methylbutanoate (PubChem CID 169000156) has the molecular formula C15H23FN2O4 and a molecular weight of 314.36 g/mol. Its IUPAC name is methyl 2-[3-[(4-fluoropiperidin-4-yl)methoxy]-1,2-oxazol-5-yl]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[3-[(4-fluoropiperidin-4-yl)methoxy]-1,2-oxazol-5-yl]-3-methylbutanoate
PubChem CID169000156
Molecular FormulaC15H23FN2O4
Molecular Weight314.36 g/mol
Exact Mass314.16
IUPAC Namemethyl 2-[3-[(4-fluoropiperidin-4-yl)methoxy]-1,2-oxazol-5-yl]-3-methylbutanoate
SMILESCOC(=O)C(c1cc(OCC2(F)CCNCC2)no1)C(C)C
InChIInChI=1S/C15H23FN2O4/c1-10(2)13(14(19)20-3)11-8-12(18-22-11)21-9-15(16)4-6-17-7-5-15/h8,10,13,17H,4-7,9H2,1-3H3
InChIKeyXRINUDDGNYUZOD-UHFFFAOYSA-N
XLogP2.06
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(4-fluoropiperidin-4-yl)methoxy]-1,2-oxazol-5-yl]-3-methylbutanoate?
The IUPAC name of methyl 2-[3-[(4-fluoropiperidin-4-yl)methoxy]-1,2-oxazol-5-yl]-3-methylbutanoate (CID 169000156) is methyl 2-[3-[(4-fluoropiperidin-4-yl)methoxy]-1,2-oxazol-5-yl]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[3-[(4-fluoropiperidin-4-yl)methoxy]-1,2-oxazol-5-yl]-3-methylbutanoate?
The canonical SMILES for methyl 2-[3-[(4-fluoropiperidin-4-yl)methoxy]-1,2-oxazol-5-yl]-3-methylbutanoate is COC(=O)C(c1cc(OCC2(F)CCNCC2)no1)C(C)C.
What is the InChIKey of methyl 2-[3-[(4-fluoropiperidin-4-yl)methoxy]-1,2-oxazol-5-yl]-3-methylbutanoate?
The InChIKey is XRINUDDGNYUZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O4/c1-10(2)13(14(19)20-3)11-8-12(18-22-11)21-9-15(16)4-6-17-7-5-15/h8,10,13,17H,4-7,9H2,1-3H3.
What are the key properties of methyl 2-[3-[(4-fluoropiperidin-4-yl)methoxy]-1,2-oxazol-5-yl]-3-methylbutanoate?
methyl 2-[3-[(4-fluoropiperidin-4-yl)methoxy]-1,2-oxazol-5-yl]-3-methylbutanoate has a molecular weight of 314.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(4-fluoropiperidin-4-yl)methoxy]-1,2-oxazol-5-yl]-3-methylbutanoate is sourced from PubChem (CID 169000156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).