5-[(4-ethoxy-3-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid

C14H16FNO5 — CID 102688900

IUPAC5-[(4-ethoxy-3-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCCOc1ccc(NC(=O)C2CCC(C(=O)O)O2)cc1F
InChIInChI=1S/C14H16FNO5/c1-2-20-10-4-3-8(7-9(10)15)16-13(17)11-5-6-12(21-11)14(18)19/h3-4,7,11-12H,2,5-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyYALZECOIZCKNSL-UHFFFAOYSA-N
MW297.28 g/mol
LogP1.80
Rot. Bonds5

About 5-[(4-ethoxy-3-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid

5-[(4-ethoxy-3-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102688900) has the molecular formula C14H16FNO5 and a molecular weight of 297.28 g/mol. Its IUPAC name is 5-[(4-ethoxy-3-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-ethoxy-3-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102688900
Molecular FormulaC14H16FNO5
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name5-[(4-ethoxy-3-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCCOc1ccc(NC(=O)C2CCC(C(=O)O)O2)cc1F
InChIInChI=1S/C14H16FNO5/c1-2-20-10-4-3-8(7-9(10)15)16-13(17)11-5-6-12(21-11)14(18)19/h3-4,7,11-12H,2,5-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyYALZECOIZCKNSL-UHFFFAOYSA-N
XLogP1.80
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(4-ethoxy-3-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,5S)-5-[(4-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944299
(2R,5S)-5-[(3-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944592
N-(4-ethoxy-3-fluorophenyl)morpholine-2-carboxamide;hydrochloride
CID 119742216
5-[(2-ethoxy-4-methylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687855
(2R,5S)-5-[(3-bromo-4-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945371
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-methyloxolane-2-carboxamide
CID 81329971
(2R,5S)-5-[(4-propoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945175
1-(4-ethoxy-3-fluorophenyl)-3-(4-hydroxycyclohexyl)urea
CID 110900571
methyl N-(4-ethoxy-3-fluorophenyl)carbamate
CID 110777389
(2R,5S)-5-[(4-bromo-3-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945585
(2S,5R)-5-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)oxolane-2-carboxamide
CID 120786894
N-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide
CID 112701655

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxy-3-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(4-ethoxy-3-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid (CID 102688900) is 5-[(4-ethoxy-3-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(4-ethoxy-3-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(4-ethoxy-3-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid is CCOc1ccc(NC(=O)C2CCC(C(=O)O)O2)cc1F.
What is the InChIKey of 5-[(4-ethoxy-3-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is YALZECOIZCKNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO5/c1-2-20-10-4-3-8(7-9(10)15)16-13(17)11-5-6-12(21-11)14(18)19/h3-4,7,11-12H,2,5-6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(4-ethoxy-3-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid?
5-[(4-ethoxy-3-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 297.28 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxy-3-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102688900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).