1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1-propan-2-ylsulfonylindazol-5-yl)ethanone

C22H25F3N4O4S — CID 58428980

IUPAC1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1-propan-2-ylsulfonylindazol-5-yl)ethanone
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc4c(cnn4S(=O)(=O)C(C)C)c3)o2)C1
InChIInChI=1S/C22H25F3N4O4S/c1-13(2)34(31,32)29-17-7-6-15(9-16(17)11-26-29)10-18(30)19-20(22(23,24)25)27-21(33-19)28-8-4-5-14(3)12-28/h6-7,9,11,13-14H,4-5,8,10,12H2,1-3H3
InChIKeyUMQWUNRESZEMGW-UHFFFAOYSA-N
MW498.53 g/mol
LogP4.29
Rot. Bonds6

About 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1-propan-2-ylsulfonylindazol-5-yl)ethanone

1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1-propan-2-ylsulfonylindazol-5-yl)ethanone (PubChem CID 58428980) has the molecular formula C22H25F3N4O4S and a molecular weight of 498.53 g/mol. Its IUPAC name is 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1-propan-2-ylsulfonylindazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1-propan-2-ylsulfonylindazol-5-yl)ethanone
PubChem CID58428980
Molecular FormulaC22H25F3N4O4S
Molecular Weight498.53 g/mol
Exact Mass498.15
IUPAC Name1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1-propan-2-ylsulfonylindazol-5-yl)ethanone
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc4c(cnn4S(=O)(=O)C(C)C)c3)o2)C1
InChIInChI=1S/C22H25F3N4O4S/c1-13(2)34(31,32)29-17-7-6-15(9-16(17)11-26-29)10-18(30)19-20(22(23,24)25)27-21(33-19)28-8-4-5-14(3)12-28/h6-7,9,11,13-14H,4-5,8,10,12H2,1-3H3
InChIKeyUMQWUNRESZEMGW-UHFFFAOYSA-N
XLogP4.29
TPSA98.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.53
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1-propan-2-ylsulfonylindazol-5-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-N-phenylindazole-1-carboxamide
CID 58428942
2-(1-Benzylsulfonylindol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428995
2-[1-(2-Methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58429077
2-(1H-indazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58429123
N-(2-fluorophenyl)-3-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indol-1-yl]propanamide
CID 58429187
2-[2-(2-Methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58429192
Ethyl 2-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indazol-1-yl]methyl]cyclopropane-1-carboxylate
CID 58429193
N-[1-[(1-methylethyl)sulfonyl]-1H-indazol-5-yl]-2-(3-methyl-1-piperidinyl)-4-(trifluoromethyl)-5-oxazolecarboxamide
CID 67390057
2-[1-(2-Methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 159984923
2-(3-methylpiperidin-1-yl)-N-(1-propan-2-ylsulfonylindol-5-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 162601336

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1-propan-2-ylsulfonylindazol-5-yl)ethanone?
The IUPAC name of 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1-propan-2-ylsulfonylindazol-5-yl)ethanone (CID 58428980) is 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1-propan-2-ylsulfonylindazol-5-yl)ethanone.
What is the SMILES notation for 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1-propan-2-ylsulfonylindazol-5-yl)ethanone?
The canonical SMILES for 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1-propan-2-ylsulfonylindazol-5-yl)ethanone is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc4c(cnn4S(=O)(=O)C(C)C)c3)o2)C1.
What is the InChIKey of 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1-propan-2-ylsulfonylindazol-5-yl)ethanone?
The InChIKey is UMQWUNRESZEMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O4S/c1-13(2)34(31,32)29-17-7-6-15(9-16(17)11-26-29)10-18(30)19-20(22(23,24)25)27-21(33-19)28-8-4-5-14(3)12-28/h6-7,9,11,13-14H,4-5,8,10,12H2,1-3H3.
What are the key properties of 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1-propan-2-ylsulfonylindazol-5-yl)ethanone?
1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1-propan-2-ylsulfonylindazol-5-yl)ethanone has a molecular weight of 498.53 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1-propan-2-ylsulfonylindazol-5-yl)ethanone is sourced from PubChem (CID 58428980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).