3-(3,4-difluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carboxylic acid

C18H11F2NO3 — CID 66718191

IUPAC3-(3,4-difluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccc(F)c(F)c2)noc1/C=C/c1ccccc1
InChIInChI=1S/C18H11F2NO3/c19-13-8-7-12(10-14(13)20)17-16(18(22)23)15(24-21-17)9-6-11-4-2-1-3-5-11/h1-10H,(H,22,23)/b9-6+
InChIKeyBCNLHHHTZOWQDE-RMKNXTFCSA-N
MW327.29 g/mol
LogP4.49
Rot. Bonds4

About 3-(3,4-difluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carboxylic acid

3-(3,4-difluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carboxylic acid (PubChem CID 66718191) has the molecular formula C18H11F2NO3 and a molecular weight of 327.29 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carboxylic acid
PubChem CID66718191
Molecular FormulaC18H11F2NO3
Molecular Weight327.29 g/mol
Exact Mass327.07
IUPAC Name3-(3,4-difluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccc(F)c(F)c2)noc1/C=C/c1ccccc1
InChIInChI=1S/C18H11F2NO3/c19-13-8-7-12(10-14(13)20)17-16(18(22)23)15(24-21-17)9-6-11-4-2-1-3-5-11/h1-10H,(H,22,23)/b9-6+
InChIKeyBCNLHHHTZOWQDE-RMKNXTFCSA-N
XLogP4.49
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(3,4-difluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carboxylic acid (CID 66718191) is 3-(3,4-difluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(3,4-difluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(3,4-difluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carboxylic acid is O=C(O)c1c(-c2ccc(F)c(F)c2)noc1/C=C/c1ccccc1.
What is the InChIKey of 3-(3,4-difluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carboxylic acid?
The InChIKey is BCNLHHHTZOWQDE-RMKNXTFCSA-N. The full InChI is InChI=1S/C18H11F2NO3/c19-13-8-7-12(10-14(13)20)17-16(18(22)23)15(24-21-17)9-6-11-4-2-1-3-5-11/h1-10H,(H,22,23)/b9-6+.
What are the key properties of 3-(3,4-difluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carboxylic acid?
3-(3,4-difluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carboxylic acid has a molecular weight of 327.29 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 66718191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).