(5R)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate

C10H7FNO3- — CID 6966214

IUPAC(5R)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESO=C([O-])[C@H]1CC(c2ccccc2F)=NO1
InChIInChI=1S/C10H8FNO3/c11-7-4-2-1-3-6(7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)/p-1/t9-/m1/s1
InChIKeyDAYPQGQLFQVFPV-SECBINFHSA-M
MW208.17 g/mol
LogP0.07
Rot. Bonds2

About (5R)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate

(5R)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate (PubChem CID 6966214) has the molecular formula C10H7FNO3- and a molecular weight of 208.17 g/mol. Its IUPAC name is (5R)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name(5R)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
PubChem CID6966214
Molecular FormulaC10H7FNO3-
Molecular Weight208.17 g/mol
Exact Mass208.04
IUPAC Name(5R)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESO=C([O-])[C@H]1CC(c2ccccc2F)=NO1
InChIInChI=1S/C10H8FNO3/c11-7-4-2-1-3-6(7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)/p-1/t9-/m1/s1
InChIKeyDAYPQGQLFQVFPV-SECBINFHSA-M
XLogP0.07
TPSA61.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 6966211
(5S)-N-ethyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 93143687
3-(2-fluorophenyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 20869151
(5R)-N-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638542
(5S)-N-cyclohexyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638531
[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 42816767
(5R)-3-(2-fluorophenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638520
3-(2-fluorophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 20869153
N-butyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095813
(5S)-3-(2-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638495
(5R)-3-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 92666644
(5R)-3-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638550

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The IUPAC name of (5R)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate (CID 6966214) is (5R)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate.
What is the SMILES notation for (5R)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The canonical SMILES for (5R)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate is O=C([O-])[C@H]1CC(c2ccccc2F)=NO1.
What is the InChIKey of (5R)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The InChIKey is DAYPQGQLFQVFPV-SECBINFHSA-M. The full InChI is InChI=1S/C10H8FNO3/c11-7-4-2-1-3-6(7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)/p-1/t9-/m1/s1.
What are the key properties of (5R)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
(5R)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate has a molecular weight of 208.17 g/mol, XLogP of 0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 6966214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).