2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid

C22H17F3N2O3 — CID 11509872

IUPAC2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ccc2cccc(CC(=O)O)c21
InChIInChI=1S/C22H17F3N2O3/c1-13-18(30-21(26-13)15-5-7-17(8-6-15)22(23,24)25)12-27-10-9-14-3-2-4-16(20(14)27)11-19(28)29/h2-10H,11-12H2,1H3,(H,28,29)
InChIKeyAYTFNLNTAYZROD-UHFFFAOYSA-N
MW414.38 g/mol
LogP5.30
Rot. Bonds5

About 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid

2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid (PubChem CID 11509872) has the molecular formula C22H17F3N2O3 and a molecular weight of 414.38 g/mol. Its IUPAC name is 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid
PubChem CID11509872
Molecular FormulaC22H17F3N2O3
Molecular Weight414.38 g/mol
Exact Mass414.12
IUPAC Name2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ccc2cccc(CC(=O)O)c21
InChIInChI=1S/C22H17F3N2O3/c1-13-18(30-21(26-13)15-5-7-17(8-6-15)22(23,24)25)12-27-10-9-14-3-2-4-16(20(14)27)11-19(28)29/h2-10H,11-12H2,1H3,(H,28,29)
InChIKeyAYTFNLNTAYZROD-UHFFFAOYSA-N
XLogP5.30
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.38
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid with MolForge

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Related Compounds

PD-0333941
CID 10134976
(2s)-3-{4-[3-(5-Methyl-2-Phenyl-1,3-Oxazol-4-Yl)propyl]phenyl}-2-(1h-Pyrrol-1-Yl)propanoic Acid
CID 24963031
Phenylpropanoic acid derivative, 40
CID 25014794
Phenylpropanoic acid derivative, 28
CID 44263416
Phenylpropanoic acid derivative, 66
CID 44263426
Phenylpropanoic acid derivative, 55
CID 10296059
Phenylpropanoic acid derivative, 29
CID 44263417
Phenylpropanoic acid derivative, 74
CID 44263427
Phenylpropanoic acid derivative, 75
CID 44263428
6-[2-[4-Phenyl-3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridin-6-yl]hexanoic acid
CID 70688066
2-methoxy-3-(1-((5-methyl-2-phenyloxazol-4-yl)methyl)-1H-indol-5-yl)propanoic acid
CID 10023279
2-ethoxy-3-(1-((5-methyl-2-o-tolyloxazol-4-yl)methyl)-1H-indol-5-yl)propanoic acid
CID 10070650

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid?
The IUPAC name of 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid (CID 11509872) is 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid.
What is the SMILES notation for 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid?
The canonical SMILES for 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid is Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1Cn1ccc2cccc(CC(=O)O)c21.
What is the InChIKey of 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid?
The InChIKey is AYTFNLNTAYZROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O3/c1-13-18(30-21(26-13)15-5-7-17(8-6-15)22(23,24)25)12-27-10-9-14-3-2-4-16(20(14)27)11-19(28)29/h2-10H,11-12H2,1H3,(H,28,29).
What are the key properties of 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid?
2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid has a molecular weight of 414.38 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]acetic acid is sourced from PubChem (CID 11509872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).