2-(3-methylpiperidin-1-yl)-N-(1-propan-2-ylsulfonylindazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C21H24F3N5O4S — CID 67390057

IUPAC2-(3-methylpiperidin-1-yl)-N-(1-propan-2-ylsulfonylindazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc4c(cnn4S(=O)(=O)C(C)C)c3)o2)C1
InChIInChI=1S/C21H24F3N5O4S/c1-12(2)34(31,32)29-16-7-6-15(9-14(16)10-25-29)26-19(30)17-18(21(22,23)24)27-20(33-17)28-8-4-5-13(3)11-28/h6-7,9-10,12-13H,4-5,8,11H2,1-3H3,(H,26,30)
InChIKeyBPGIAXAJTYZBFR-UHFFFAOYSA-N
MW499.52 g/mol
LogP4.12
Rot. Bonds5

About 2-(3-methylpiperidin-1-yl)-N-(1-propan-2-ylsulfonylindazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

2-(3-methylpiperidin-1-yl)-N-(1-propan-2-ylsulfonylindazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 67390057) has the molecular formula C21H24F3N5O4S and a molecular weight of 499.52 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-N-(1-propan-2-ylsulfonylindazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-N-(1-propan-2-ylsulfonylindazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID67390057
Molecular FormulaC21H24F3N5O4S
Molecular Weight499.52 g/mol
Exact Mass499.15
IUPAC Name2-(3-methylpiperidin-1-yl)-N-(1-propan-2-ylsulfonylindazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc4c(cnn4S(=O)(=O)C(C)C)c3)o2)C1
InChIInChI=1S/C21H24F3N5O4S/c1-12(2)34(31,32)29-16-7-6-15(9-14(16)10-25-29)26-19(30)17-18(21(22,23)24)27-20(33-17)28-8-4-5-13(3)11-28/h6-7,9-10,12-13H,4-5,8,11H2,1-3H3,(H,26,30)
InChIKeyBPGIAXAJTYZBFR-UHFFFAOYSA-N
XLogP4.12
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-N-(1-propan-2-ylsulfonylindazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-N-(1-propan-2-ylsulfonylindazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 67390057) is 2-(3-methylpiperidin-1-yl)-N-(1-propan-2-ylsulfonylindazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-N-(1-propan-2-ylsulfonylindazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-N-(1-propan-2-ylsulfonylindazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc4c(cnn4S(=O)(=O)C(C)C)c3)o2)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-N-(1-propan-2-ylsulfonylindazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is BPGIAXAJTYZBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O4S/c1-12(2)34(31,32)29-16-7-6-15(9-14(16)10-25-29)26-19(30)17-18(21(22,23)24)27-20(33-17)28-8-4-5-13(3)11-28/h6-7,9-10,12-13H,4-5,8,11H2,1-3H3,(H,26,30).
What are the key properties of 2-(3-methylpiperidin-1-yl)-N-(1-propan-2-ylsulfonylindazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
2-(3-methylpiperidin-1-yl)-N-(1-propan-2-ylsulfonylindazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 499.52 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-N-(1-propan-2-ylsulfonylindazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 67390057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).