1-[2-(3-fluorophenyl)-1,3-oxazol-5-yl]cyclopropane-1-carboxylic acid

C13H10FNO3 — CID 82384102

IUPAC1-[2-(3-fluorophenyl)-1,3-oxazol-5-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cnc(-c3cccc(F)c3)o2)CC1
InChIInChI=1S/C13H10FNO3/c14-9-3-1-2-8(6-9)11-15-7-10(18-11)13(4-5-13)12(16)17/h1-3,6-7H,4-5H2,(H,16,17)
InChIKeyNLHXUYGETDLQSU-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.60
Rot. Bonds3

About 1-[2-(3-fluorophenyl)-1,3-oxazol-5-yl]cyclopropane-1-carboxylic acid

1-[2-(3-fluorophenyl)-1,3-oxazol-5-yl]cyclopropane-1-carboxylic acid (PubChem CID 82384102) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)-1,3-oxazol-5-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)-1,3-oxazol-5-yl]cyclopropane-1-carboxylic acid
PubChem CID82384102
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name1-[2-(3-fluorophenyl)-1,3-oxazol-5-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cnc(-c3cccc(F)c3)o2)CC1
InChIInChI=1S/C13H10FNO3/c14-9-3-1-2-8(6-9)11-15-7-10(18-11)13(4-5-13)12(16)17/h1-3,6-7H,4-5H2,(H,16,17)
InChIKeyNLHXUYGETDLQSU-UHFFFAOYSA-N
XLogP2.60
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)-1,3-oxazol-5-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[2-(3-fluorophenyl)-1,3-oxazol-5-yl]cyclopropane-1-carboxylic acid (CID 82384102) is 1-[2-(3-fluorophenyl)-1,3-oxazol-5-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(3-fluorophenyl)-1,3-oxazol-5-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[2-(3-fluorophenyl)-1,3-oxazol-5-yl]cyclopropane-1-carboxylic acid is O=C(O)C1(c2cnc(-c3cccc(F)c3)o2)CC1.
What is the InChIKey of 1-[2-(3-fluorophenyl)-1,3-oxazol-5-yl]cyclopropane-1-carboxylic acid?
The InChIKey is NLHXUYGETDLQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c14-9-3-1-2-8(6-9)11-15-7-10(18-11)13(4-5-13)12(16)17/h1-3,6-7H,4-5H2,(H,16,17).
What are the key properties of 1-[2-(3-fluorophenyl)-1,3-oxazol-5-yl]cyclopropane-1-carboxylic acid?
1-[2-(3-fluorophenyl)-1,3-oxazol-5-yl]cyclopropane-1-carboxylic acid has a molecular weight of 247.23 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)-1,3-oxazol-5-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82384102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).