5-[(Z)-2-[2,6-bis(trifluoromethyl)quinolin-4-yl]ethenyl]-4-ethyl-1,2-oxazole-3-carboxylic acid

C19H12F6N2O3 — CID 45483768

IUPAC5-[(Z)-2-[2,6-bis(trifluoromethyl)quinolin-4-yl]ethenyl]-4-ethyl-1,2-oxazole-3-carboxylic acid
SMILESCCc1c(C(=O)O)noc1/C=C\c1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C19H12F6N2O3/c1-2-11-14(30-27-16(11)17(28)29)6-3-9-7-15(19(23,24)25)26-13-5-4-10(8-12(9)13)18(20,21)22/h3-8H,2H2,1H3,(H,28,29)/b6-3-
InChIKeyHCXHTWHZDQFQNP-UTCJRWHESA-N
MW430.30 g/mol
LogP5.69
Rot. Bonds4

About 5-[(Z)-2-[2,6-bis(trifluoromethyl)quinolin-4-yl]ethenyl]-4-ethyl-1,2-oxazole-3-carboxylic acid

5-[(Z)-2-[2,6-bis(trifluoromethyl)quinolin-4-yl]ethenyl]-4-ethyl-1,2-oxazole-3-carboxylic acid (PubChem CID 45483768) has the molecular formula C19H12F6N2O3 and a molecular weight of 430.30 g/mol. Its IUPAC name is 5-[(Z)-2-[2,6-bis(trifluoromethyl)quinolin-4-yl]ethenyl]-4-ethyl-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(Z)-2-[2,6-bis(trifluoromethyl)quinolin-4-yl]ethenyl]-4-ethyl-1,2-oxazole-3-carboxylic acid
PubChem CID45483768
Molecular FormulaC19H12F6N2O3
Molecular Weight430.30 g/mol
Exact Mass430.08
IUPAC Name5-[(Z)-2-[2,6-bis(trifluoromethyl)quinolin-4-yl]ethenyl]-4-ethyl-1,2-oxazole-3-carboxylic acid
SMILESCCc1c(C(=O)O)noc1/C=C\c1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C19H12F6N2O3/c1-2-11-14(30-27-16(11)17(28)29)6-3-9-7-15(19(23,24)25)26-13-5-4-10(8-12(9)13)18(20,21)22/h3-8H,2H2,1H3,(H,28,29)/b6-3-
InChIKeyHCXHTWHZDQFQNP-UTCJRWHESA-N
XLogP5.69
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.30
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-[2,6-bis(trifluoromethyl)quinolin-4-yl]ethenyl]-4-ethyl-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(Z)-2-[2,6-bis(trifluoromethyl)quinolin-4-yl]ethenyl]-4-ethyl-1,2-oxazole-3-carboxylic acid (CID 45483768) is 5-[(Z)-2-[2,6-bis(trifluoromethyl)quinolin-4-yl]ethenyl]-4-ethyl-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(Z)-2-[2,6-bis(trifluoromethyl)quinolin-4-yl]ethenyl]-4-ethyl-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(Z)-2-[2,6-bis(trifluoromethyl)quinolin-4-yl]ethenyl]-4-ethyl-1,2-oxazole-3-carboxylic acid is CCc1c(C(=O)O)noc1/C=C\c1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12.
What is the InChIKey of 5-[(Z)-2-[2,6-bis(trifluoromethyl)quinolin-4-yl]ethenyl]-4-ethyl-1,2-oxazole-3-carboxylic acid?
The InChIKey is HCXHTWHZDQFQNP-UTCJRWHESA-N. The full InChI is InChI=1S/C19H12F6N2O3/c1-2-11-14(30-27-16(11)17(28)29)6-3-9-7-15(19(23,24)25)26-13-5-4-10(8-12(9)13)18(20,21)22/h3-8H,2H2,1H3,(H,28,29)/b6-3-.
What are the key properties of 5-[(Z)-2-[2,6-bis(trifluoromethyl)quinolin-4-yl]ethenyl]-4-ethyl-1,2-oxazole-3-carboxylic acid?
5-[(Z)-2-[2,6-bis(trifluoromethyl)quinolin-4-yl]ethenyl]-4-ethyl-1,2-oxazole-3-carboxylic acid has a molecular weight of 430.30 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-[2,6-bis(trifluoromethyl)quinolin-4-yl]ethenyl]-4-ethyl-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 45483768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).