ethyl (2R,3S)-2-fluoro-3-hydroxy-3-(1,3-oxazol-4-yl)propanoate

C8H10FNO4 — CID 134967747

IUPACethyl (2R,3S)-2-fluoro-3-hydroxy-3-(1,3-oxazol-4-yl)propanoate
SMILESCCOC(=O)[C@H](F)[C@@H](O)c1cocn1
InChIInChI=1S/C8H10FNO4/c1-2-14-8(12)6(9)7(11)5-3-13-4-10-5/h3-4,6-7,11H,2H2,1H3/t6-,7+/m1/s1
InChIKeyJIGNGXZRXALRQO-RQJHMYQMSA-N
MW203.17 g/mol
LogP0.61
Rot. Bonds4

About ethyl (2R,3S)-2-fluoro-3-hydroxy-3-(1,3-oxazol-4-yl)propanoate

ethyl (2R,3S)-2-fluoro-3-hydroxy-3-(1,3-oxazol-4-yl)propanoate (PubChem CID 134967747) has the molecular formula C8H10FNO4 and a molecular weight of 203.17 g/mol. Its IUPAC name is ethyl (2R,3S)-2-fluoro-3-hydroxy-3-(1,3-oxazol-4-yl)propanoate.

Molecular Properties

Compound Nameethyl (2R,3S)-2-fluoro-3-hydroxy-3-(1,3-oxazol-4-yl)propanoate
PubChem CID134967747
Molecular FormulaC8H10FNO4
Molecular Weight203.17 g/mol
Exact Mass203.06
IUPAC Nameethyl (2R,3S)-2-fluoro-3-hydroxy-3-(1,3-oxazol-4-yl)propanoate
SMILESCCOC(=O)[C@H](F)[C@@H](O)c1cocn1
InChIInChI=1S/C8H10FNO4/c1-2-14-8(12)6(9)7(11)5-3-13-4-10-5/h3-4,6-7,11H,2H2,1H3/t6-,7+/m1/s1
InChIKeyJIGNGXZRXALRQO-RQJHMYQMSA-N
XLogP0.61
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-2-fluoro-3-hydroxy-3-(1,3-oxazol-4-yl)propanoate?
The IUPAC name of ethyl (2R,3S)-2-fluoro-3-hydroxy-3-(1,3-oxazol-4-yl)propanoate (CID 134967747) is ethyl (2R,3S)-2-fluoro-3-hydroxy-3-(1,3-oxazol-4-yl)propanoate.
What is the SMILES notation for ethyl (2R,3S)-2-fluoro-3-hydroxy-3-(1,3-oxazol-4-yl)propanoate?
The canonical SMILES for ethyl (2R,3S)-2-fluoro-3-hydroxy-3-(1,3-oxazol-4-yl)propanoate is CCOC(=O)[C@H](F)[C@@H](O)c1cocn1.
What is the InChIKey of ethyl (2R,3S)-2-fluoro-3-hydroxy-3-(1,3-oxazol-4-yl)propanoate?
The InChIKey is JIGNGXZRXALRQO-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H10FNO4/c1-2-14-8(12)6(9)7(11)5-3-13-4-10-5/h3-4,6-7,11H,2H2,1H3/t6-,7+/m1/s1.
What are the key properties of ethyl (2R,3S)-2-fluoro-3-hydroxy-3-(1,3-oxazol-4-yl)propanoate?
ethyl (2R,3S)-2-fluoro-3-hydroxy-3-(1,3-oxazol-4-yl)propanoate has a molecular weight of 203.17 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-2-fluoro-3-hydroxy-3-(1,3-oxazol-4-yl)propanoate is sourced from PubChem (CID 134967747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).