ethyl 5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylate

C21H21F3N4O4 — CID 57485456

IUPACethyl 5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(NC(=O)c3oc(N4CCCCC4)nc3C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C21H21F3N4O4/c1-2-31-19(30)15-11-12-10-13(6-7-14(12)26-15)25-18(29)16-17(21(22,23)24)27-20(32-16)28-8-4-3-5-9-28/h6-7,10-11,26H,2-5,8-9H2,1H3,(H,25,29)
InChIKeyLSWFGDOSLGVDAL-UHFFFAOYSA-N
MW450.42 g/mol
LogP4.59
Rot. Bonds5

About ethyl 5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylate

ethyl 5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylate (PubChem CID 57485456) has the molecular formula C21H21F3N4O4 and a molecular weight of 450.42 g/mol. Its IUPAC name is ethyl 5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylate
PubChem CID57485456
Molecular FormulaC21H21F3N4O4
Molecular Weight450.42 g/mol
Exact Mass450.15
IUPAC Nameethyl 5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(NC(=O)c3oc(N4CCCCC4)nc3C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C21H21F3N4O4/c1-2-31-19(30)15-11-12-10-13(6-7-14(12)26-15)25-18(29)16-17(21(22,23)24)27-20(32-16)28-8-4-3-5-9-28/h6-7,10-11,26H,2-5,8-9H2,1H3,(H,25,29)
InChIKeyLSWFGDOSLGVDAL-UHFFFAOYSA-N
XLogP4.59
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.42
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylate (CID 57485456) is ethyl 5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(NC(=O)c3oc(N4CCCCC4)nc3C(F)(F)F)ccc2[nH]1.
What is the InChIKey of ethyl 5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylate?
The InChIKey is LSWFGDOSLGVDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O4/c1-2-31-19(30)15-11-12-10-13(6-7-14(12)26-15)25-18(29)16-17(21(22,23)24)27-20(32-16)28-8-4-3-5-9-28/h6-7,10-11,26H,2-5,8-9H2,1H3,(H,25,29).
What are the key properties of ethyl 5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylate?
ethyl 5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylate has a molecular weight of 450.42 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylate is sourced from PubChem (CID 57485456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).