methyl 3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate

C8H10FNO5 — CID 67778586

IUPACmethyl 3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate
SMILESCOC(=O)c1cc(OCC(O)CF)no1
InChIInChI=1S/C8H10FNO5/c1-13-8(12)6-2-7(10-15-6)14-4-5(11)3-9/h2,5,11H,3-4H2,1H3
InChIKeyRLXAJICGYBTWEG-UHFFFAOYSA-N
MW219.17 g/mol
LogP0.17
Rot. Bonds5

About methyl 3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate

methyl 3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate (PubChem CID 67778586) has the molecular formula C8H10FNO5 and a molecular weight of 219.17 g/mol. Its IUPAC name is methyl 3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate
PubChem CID67778586
Molecular FormulaC8H10FNO5
Molecular Weight219.17 g/mol
Exact Mass219.05
IUPAC Namemethyl 3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate
SMILESCOC(=O)c1cc(OCC(O)CF)no1
InChIInChI=1S/C8H10FNO5/c1-13-8(12)6-2-7(10-15-6)14-4-5(11)3-9/h2,5,11H,3-4H2,1H3
InChIKeyRLXAJICGYBTWEG-UHFFFAOYSA-N
XLogP0.17
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Methoxy-1,2-oxazole-5-carboxylic acid
CID 327717
2-[(5-Methyl-1,2-oxazol-3-yl)oxy]acetic acid
CID 4962137
5-Isoxazolecarboxylic acid, 3-hydroxy-, methyl ester, O-ester with O,O-diethylphosphorothioate
CID 205846
3-Ethoxy-1,2-oxazole-5-carboxylic acid
CID 15007418
Methyl 3-prop-2-ynoxy-1,2-oxazole-5-carboxylate
CID 140030818
3-(2,2,2-Trifluoroethoxy)isoxazole-5-carboxylic acid
CID 168168802
5-Isoxazolecarboxylic acid, 3-methoxy-, methyl ester
CID 639214
Methyl 3-(allyloxy)isoxazole-5-carboxylate
CID 639217
Methyl 3-(1,1,2,2-tetrafluoroethoxy)-5-isoxazole carboxylate
CID 22262066
3-(2-Fluoroethoxy)isoxazole-5-carboxylic acid
CID 45091216
Methyl 3-(3,3-difluoro-2-hydroxypropoxy)isoxazole-5-carboxylate
CID 67777697
3-(3-Fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylic acid
CID 67778359

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate (CID 67778586) is methyl 3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate is COC(=O)c1cc(OCC(O)CF)no1.
What is the InChIKey of methyl 3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate?
The InChIKey is RLXAJICGYBTWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO5/c1-13-8(12)6-2-7(10-15-6)14-4-5(11)3-9/h2,5,11H,3-4H2,1H3.
What are the key properties of methyl 3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate?
methyl 3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate has a molecular weight of 219.17 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 67778586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).