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

C13H8F3NO3 — CID 58428667

IUPAC2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(/C=C/c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)11-10(12(18)19)20-9(17-11)7-6-8-4-2-1-3-5-8/h1-7H,(H,18,19)/b7-6+
InChIKeyIGIKCMSYKMAXJH-VOTSOKGWSA-N
MW283.20 g/mol
LogP3.56
Rot. Bonds3

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

2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 58428667) has the molecular formula C13H8F3NO3 and a molecular weight of 283.20 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID58428667
Molecular FormulaC13H8F3NO3
Molecular Weight283.20 g/mol
Exact Mass283.05
IUPAC Name2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(/C=C/c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)11-10(12(18)19)20-9(17-11)7-6-8-4-2-1-3-5-8/h1-7H,(H,18,19)/b7-6+
InChIKeyIGIKCMSYKMAXJH-VOTSOKGWSA-N
XLogP3.56
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (CID 58428667) is 2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is O=C(O)c1oc(/C=C/c2ccccc2)nc1C(F)(F)F.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is IGIKCMSYKMAXJH-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H8F3NO3/c14-13(15,16)11-10(12(18)19)20-9(17-11)7-6-8-4-2-1-3-5-8/h1-7H,(H,18,19)/b7-6+.
What are the key properties of 2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 283.20 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 58428667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).