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

C22H17F3N2O4 — CID 11177899

IUPAC2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]indol-1-yl]acetic acid
SMILESCc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc2c(ccn2CC(=O)O)c1
InChIInChI=1S/C22H17F3N2O4/c1-13-18(26-21(31-13)14-2-4-16(5-3-14)22(23,24)25)12-30-17-6-7-19-15(10-17)8-9-27(19)11-20(28)29/h2-10H,11-12H2,1H3,(H,28,29)
InChIKeyAELADKZCHQZOQP-UHFFFAOYSA-N
MW430.38 g/mol
LogP5.29
Rot. Bonds6

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

2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]indol-1-yl]acetic acid (PubChem CID 11177899) has the molecular formula C22H17F3N2O4 and a molecular weight of 430.38 g/mol. Its IUPAC name is 2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]indol-1-yl]acetic acid
PubChem CID11177899
Molecular FormulaC22H17F3N2O4
Molecular Weight430.38 g/mol
Exact Mass430.11
IUPAC Name2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]indol-1-yl]acetic acid
SMILESCc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc2c(ccn2CC(=O)O)c1
InChIInChI=1S/C22H17F3N2O4/c1-13-18(26-21(31-13)14-2-4-16(5-3-14)22(23,24)25)12-30-17-6-7-19-15(10-17)8-9-27(19)11-20(28)29/h2-10H,11-12H2,1H3,(H,28,29)
InChIKeyAELADKZCHQZOQP-UHFFFAOYSA-N
XLogP5.29
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.38
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]indol-1-yl]acetic acid?
The IUPAC name of 2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]indol-1-yl]acetic acid (CID 11177899) is 2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]indol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]indol-1-yl]acetic acid is Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc2c(ccn2CC(=O)O)c1.
What is the InChIKey of 2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]indol-1-yl]acetic acid?
The InChIKey is AELADKZCHQZOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O4/c1-13-18(26-21(31-13)14-2-4-16(5-3-14)22(23,24)25)12-30-17-6-7-19-15(10-17)8-9-27(19)11-20(28)29/h2-10H,11-12H2,1H3,(H,28,29).
What are the key properties of 2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]indol-1-yl]acetic acid?
2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]indol-1-yl]acetic acid has a molecular weight of 430.38 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]indol-1-yl]acetic acid is sourced from PubChem (CID 11177899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).