methyl 2-[4-fluoro-3-(oxan-2-yloxy)-1,2-oxazol-5-yl]-3-methylbutanoate

C14H20FNO5 — CID 139531009

IUPACmethyl 2-[4-fluoro-3-(oxan-2-yloxy)-1,2-oxazol-5-yl]-3-methylbutanoate
SMILESCOC(=O)C(c1onc(OC2CCCCO2)c1F)C(C)C
InChIInChI=1S/C14H20FNO5/c1-8(2)10(14(17)18-3)12-11(15)13(16-21-12)20-9-6-4-5-7-19-9/h8-10H,4-7H2,1-3H3
InChIKeyNDPPCUMEMYUCSN-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.63
Rot. Bonds5

About methyl 2-[4-fluoro-3-(oxan-2-yloxy)-1,2-oxazol-5-yl]-3-methylbutanoate

methyl 2-[4-fluoro-3-(oxan-2-yloxy)-1,2-oxazol-5-yl]-3-methylbutanoate (PubChem CID 139531009) has the molecular formula C14H20FNO5 and a molecular weight of 301.31 g/mol. Its IUPAC name is methyl 2-[4-fluoro-3-(oxan-2-yloxy)-1,2-oxazol-5-yl]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[4-fluoro-3-(oxan-2-yloxy)-1,2-oxazol-5-yl]-3-methylbutanoate
PubChem CID139531009
Molecular FormulaC14H20FNO5
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Namemethyl 2-[4-fluoro-3-(oxan-2-yloxy)-1,2-oxazol-5-yl]-3-methylbutanoate
SMILESCOC(=O)C(c1onc(OC2CCCCO2)c1F)C(C)C
InChIInChI=1S/C14H20FNO5/c1-8(2)10(14(17)18-3)12-11(15)13(16-21-12)20-9-6-4-5-7-19-9/h8-10H,4-7H2,1-3H3
InChIKeyNDPPCUMEMYUCSN-UHFFFAOYSA-N
XLogP2.63
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-fluoro-3-(oxan-2-yloxy)-1,2-oxazol-5-yl]-3-methylbutanoate?
The IUPAC name of methyl 2-[4-fluoro-3-(oxan-2-yloxy)-1,2-oxazol-5-yl]-3-methylbutanoate (CID 139531009) is methyl 2-[4-fluoro-3-(oxan-2-yloxy)-1,2-oxazol-5-yl]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[4-fluoro-3-(oxan-2-yloxy)-1,2-oxazol-5-yl]-3-methylbutanoate?
The canonical SMILES for methyl 2-[4-fluoro-3-(oxan-2-yloxy)-1,2-oxazol-5-yl]-3-methylbutanoate is COC(=O)C(c1onc(OC2CCCCO2)c1F)C(C)C.
What is the InChIKey of methyl 2-[4-fluoro-3-(oxan-2-yloxy)-1,2-oxazol-5-yl]-3-methylbutanoate?
The InChIKey is NDPPCUMEMYUCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO5/c1-8(2)10(14(17)18-3)12-11(15)13(16-21-12)20-9-6-4-5-7-19-9/h8-10H,4-7H2,1-3H3.
What are the key properties of methyl 2-[4-fluoro-3-(oxan-2-yloxy)-1,2-oxazol-5-yl]-3-methylbutanoate?
methyl 2-[4-fluoro-3-(oxan-2-yloxy)-1,2-oxazol-5-yl]-3-methylbutanoate has a molecular weight of 301.31 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-fluoro-3-(oxan-2-yloxy)-1,2-oxazol-5-yl]-3-methylbutanoate is sourced from PubChem (CID 139531009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).