(4-fluorophenyl) 3-(1,2-oxazol-3-yl)propanoate

C12H10FNO3 — CID 174614806

IUPAC(4-fluorophenyl) 3-(1,2-oxazol-3-yl)propanoate
SMILESO=C(CCc1ccon1)Oc1ccc(F)cc1
InChIInChI=1S/C12H10FNO3/c13-9-1-4-11(5-2-9)17-12(15)6-3-10-7-8-16-14-10/h1-2,4-5,7-8H,3,6H2
InChIKeyWPKUUXSTJVKBID-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.35
Rot. Bonds4

About (4-fluorophenyl) 3-(1,2-oxazol-3-yl)propanoate

(4-fluorophenyl) 3-(1,2-oxazol-3-yl)propanoate (PubChem CID 174614806) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is (4-fluorophenyl) 3-(1,2-oxazol-3-yl)propanoate.

Molecular Properties

Compound Name(4-fluorophenyl) 3-(1,2-oxazol-3-yl)propanoate
PubChem CID174614806
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name(4-fluorophenyl) 3-(1,2-oxazol-3-yl)propanoate
SMILESO=C(CCc1ccon1)Oc1ccc(F)cc1
InChIInChI=1S/C12H10FNO3/c13-9-1-4-11(5-2-9)17-12(15)6-3-10-7-8-16-14-10/h1-2,4-5,7-8H,3,6H2
InChIKeyWPKUUXSTJVKBID-UHFFFAOYSA-N
XLogP2.35
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-fluorophenyl) 3-phenylpropanoate
CID 562084
(4-fluorophenyl) 3-(4-methylphenyl)propanoate
CID 19220615
(4-fluorophenyl) 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 24592484
(4-fluorophenyl) 3-(2-nitrophenyl)propanoate
CID 156509085
5-(1,2-oxazol-3-yl)pentanoic acid
CID 174347954
3-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,2-oxazole
CID 141170966
[2-[3-(4-fluorophenoxy)-3-oxopropyl]-4-methoxyphenyl]azaniumylideneazanide
CID 162451402
(4-fluorophenyl) 3-piperidin-4-ylpropanoate
CID 117125845
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone
CID 110853293
methyl 4-(1,2-oxazol-3-ylmethylsulfamoyl)butanoate
CID 79477880
bis(4-fluorophenyl) (E)-but-2-enedioate
CID 175341971
[4-(thiophene-2-carbonylamino)phenyl] 3-(4-fluorophenyl)propanoate
CID 35624176

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 3-(1,2-oxazol-3-yl)propanoate?
The IUPAC name of (4-fluorophenyl) 3-(1,2-oxazol-3-yl)propanoate (CID 174614806) is (4-fluorophenyl) 3-(1,2-oxazol-3-yl)propanoate.
What is the SMILES notation for (4-fluorophenyl) 3-(1,2-oxazol-3-yl)propanoate?
The canonical SMILES for (4-fluorophenyl) 3-(1,2-oxazol-3-yl)propanoate is O=C(CCc1ccon1)Oc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl) 3-(1,2-oxazol-3-yl)propanoate?
The InChIKey is WPKUUXSTJVKBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c13-9-1-4-11(5-2-9)17-12(15)6-3-10-7-8-16-14-10/h1-2,4-5,7-8H,3,6H2.
What are the key properties of (4-fluorophenyl) 3-(1,2-oxazol-3-yl)propanoate?
(4-fluorophenyl) 3-(1,2-oxazol-3-yl)propanoate has a molecular weight of 235.21 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 3-(1,2-oxazol-3-yl)propanoate is sourced from PubChem (CID 174614806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).