3-(3-chloro-2-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid

C10H7ClFNO3 — CID 155895362

IUPAC3-(3-chloro-2-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)C1C=C(c2cccc(Cl)c2F)NO1
InChIInChI=1S/C10H7ClFNO3/c11-6-3-1-2-5(9(6)12)7-4-8(10(14)15)16-13-7/h1-4,8,13H,(H,14,15)
InChIKeyXIBXKFCMPISNNZ-UHFFFAOYSA-N
MW243.62 g/mol
LogP1.81
Rot. Bonds2

About 3-(3-chloro-2-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid

3-(3-chloro-2-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid (PubChem CID 155895362) has the molecular formula C10H7ClFNO3 and a molecular weight of 243.62 g/mol. Its IUPAC name is 3-(3-chloro-2-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-chloro-2-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
PubChem CID155895362
Molecular FormulaC10H7ClFNO3
Molecular Weight243.62 g/mol
Exact Mass243.01
IUPAC Name3-(3-chloro-2-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)C1C=C(c2cccc(Cl)c2F)NO1
InChIInChI=1S/C10H7ClFNO3/c11-6-3-1-2-5(9(6)12)7-4-8(10(14)15)16-13-7/h1-4,8,13H,(H,14,15)
InChIKeyXIBXKFCMPISNNZ-UHFFFAOYSA-N
XLogP1.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.62
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3-chloro-2-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid (CID 155895362) is 3-(3-chloro-2-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-chloro-2-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3-chloro-2-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid is O=C(O)C1C=C(c2cccc(Cl)c2F)NO1.
What is the InChIKey of 3-(3-chloro-2-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
The InChIKey is XIBXKFCMPISNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO3/c11-6-3-1-2-5(9(6)12)7-4-8(10(14)15)16-13-7/h1-4,8,13H,(H,14,15).
What are the key properties of 3-(3-chloro-2-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
3-(3-chloro-2-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid has a molecular weight of 243.62 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 155895362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).