2-[5-[1-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]ethoxy]indol-1-yl]acetic acid

C24H21F3N2O4 — CID 11442503

IUPAC2-[5-[1-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]ethoxy]indol-1-yl]acetic acid
SMILESCCc1nc(-c2ccc(C(F)(F)F)cc2)oc1C(C)Oc1ccc2c(ccn2CC(=O)O)c1
InChIInChI=1S/C24H21F3N2O4/c1-3-19-22(33-23(28-19)15-4-6-17(7-5-15)24(25,26)27)14(2)32-18-8-9-20-16(12-18)10-11-29(20)13-21(30)31/h4-12,14H,3,13H2,1-2H3,(H,30,31)
InChIKeyIVZUXLMEEIDYSV-UHFFFAOYSA-N
MW458.44 g/mol
LogP6.10
Rot. Bonds7

About 2-[5-[1-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]ethoxy]indol-1-yl]acetic acid

2-[5-[1-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]ethoxy]indol-1-yl]acetic acid (PubChem CID 11442503) has the molecular formula C24H21F3N2O4 and a molecular weight of 458.44 g/mol. Its IUPAC name is 2-[5-[1-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]ethoxy]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[1-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]ethoxy]indol-1-yl]acetic acid
PubChem CID11442503
Molecular FormulaC24H21F3N2O4
Molecular Weight458.44 g/mol
Exact Mass458.15
IUPAC Name2-[5-[1-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]ethoxy]indol-1-yl]acetic acid
SMILESCCc1nc(-c2ccc(C(F)(F)F)cc2)oc1C(C)Oc1ccc2c(ccn2CC(=O)O)c1
InChIInChI=1S/C24H21F3N2O4/c1-3-19-22(33-23(28-19)15-4-6-17(7-5-15)24(25,26)27)14(2)32-18-8-9-20-16(12-18)10-11-29(20)13-21(30)31/h4-12,14H,3,13H2,1-2H3,(H,30,31)
InChIKeyIVZUXLMEEIDYSV-UHFFFAOYSA-N
XLogP6.10
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.44
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]ethoxy]indol-1-yl]acetic acid?
The IUPAC name of 2-[5-[1-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]ethoxy]indol-1-yl]acetic acid (CID 11442503) is 2-[5-[1-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]ethoxy]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[1-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]ethoxy]indol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[1-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]ethoxy]indol-1-yl]acetic acid is CCc1nc(-c2ccc(C(F)(F)F)cc2)oc1C(C)Oc1ccc2c(ccn2CC(=O)O)c1.
What is the InChIKey of 2-[5-[1-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]ethoxy]indol-1-yl]acetic acid?
The InChIKey is IVZUXLMEEIDYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O4/c1-3-19-22(33-23(28-19)15-4-6-17(7-5-15)24(25,26)27)14(2)32-18-8-9-20-16(12-18)10-11-29(20)13-21(30)31/h4-12,14H,3,13H2,1-2H3,(H,30,31).
What are the key properties of 2-[5-[1-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]ethoxy]indol-1-yl]acetic acid?
2-[5-[1-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]ethoxy]indol-1-yl]acetic acid has a molecular weight of 458.44 g/mol, XLogP of 6.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]ethoxy]indol-1-yl]acetic acid is sourced from PubChem (CID 11442503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).