5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-1H-indole-2-carboxylic acid

C20H18F3N3O4 — CID 58428928

IUPAC5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(CC(=O)c3oc(N4CCCCC4)nc3C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C20H18F3N3O4/c21-20(22,23)17-16(30-19(25-17)26-6-2-1-3-7-26)15(27)9-11-4-5-13-12(8-11)10-14(24-13)18(28)29/h4-5,8,10,24H,1-3,6-7,9H2,(H,28,29)
InChIKeyMYHNXYNQWOJJQD-UHFFFAOYSA-N
MW421.38 g/mol
LogP4.29
Rot. Bonds5

About 5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-1H-indole-2-carboxylic acid

5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-1H-indole-2-carboxylic acid (PubChem CID 58428928) has the molecular formula C20H18F3N3O4 and a molecular weight of 421.38 g/mol. Its IUPAC name is 5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-1H-indole-2-carboxylic acid
PubChem CID58428928
Molecular FormulaC20H18F3N3O4
Molecular Weight421.38 g/mol
Exact Mass421.12
IUPAC Name5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(CC(=O)c3oc(N4CCCCC4)nc3C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C20H18F3N3O4/c21-20(22,23)17-16(30-19(25-17)26-6-2-1-3-7-26)15(27)9-11-4-5-13-12(8-11)10-14(24-13)18(28)29/h4-5,8,10,24H,1-3,6-7,9H2,(H,28,29)
InChIKeyMYHNXYNQWOJJQD-UHFFFAOYSA-N
XLogP4.29
TPSA99.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-1H-indole-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

ethyl 5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylate
CID 57485456
2-(1H-indol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428950
ethyl 5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-1H-indole-2-carboxylate
CID 58429117
5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylic acid
CID 67390730
N-(2-fluorophenyl)prop-2-enamide;2-(1H-indol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 123704524
Methyl 2-(5-fluoro-1,3-benzoxazol-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 133314169
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 43038114
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 46684926
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
CID 166268202

Frequently Asked Questions

What is the IUPAC name of 5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-1H-indole-2-carboxylic acid?
The IUPAC name of 5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-1H-indole-2-carboxylic acid (CID 58428928) is 5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-1H-indole-2-carboxylic acid is O=C(O)c1cc2cc(CC(=O)c3oc(N4CCCCC4)nc3C(F)(F)F)ccc2[nH]1.
What is the InChIKey of 5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-1H-indole-2-carboxylic acid?
The InChIKey is MYHNXYNQWOJJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O4/c21-20(22,23)17-16(30-19(25-17)26-6-2-1-3-7-26)15(27)9-11-4-5-13-12(8-11)10-14(24-13)18(28)29/h4-5,8,10,24H,1-3,6-7,9H2,(H,28,29).
What are the key properties of 5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-1H-indole-2-carboxylic acid?
5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-1H-indole-2-carboxylic acid has a molecular weight of 421.38 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 58428928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).