N-(2-hydroxyethyl)-2-[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide

C24H23F3N4O4 — CID 24852492

IUPACN-(2-hydroxyethyl)-2-[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3ccn4CC(=O)NCCO)no2)cc1C(F)(F)F
InChIInChI=1S/C24H23F3N4O4/c1-14(2)34-20-7-6-15(12-18(20)24(25,26)27)23-29-22(30-35-23)17-4-3-5-19-16(17)8-10-31(19)13-21(33)28-9-11-32/h3-8,10,12,14,32H,9,11,13H2,1-2H3,(H,28,33)
InChIKeyWRXGHEKWIVKQDK-UHFFFAOYSA-N
MW488.47 g/mol
LogP4.27
Rot. Bonds8

About N-(2-hydroxyethyl)-2-[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide

N-(2-hydroxyethyl)-2-[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide (PubChem CID 24852492) has the molecular formula C24H23F3N4O4 and a molecular weight of 488.47 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide
PubChem CID24852492
Molecular FormulaC24H23F3N4O4
Molecular Weight488.47 g/mol
Exact Mass488.17
IUPAC NameN-(2-hydroxyethyl)-2-[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3ccn4CC(=O)NCCO)no2)cc1C(F)(F)F
InChIInChI=1S/C24H23F3N4O4/c1-14(2)34-20-7-6-15(12-18(20)24(25,26)27)23-29-22(30-35-23)17-4-3-5-19-16(17)8-10-31(19)13-21(33)28-9-11-32/h3-8,10,12,14,32H,9,11,13H2,1-2H3,(H,28,33)
InChIKeyWRXGHEKWIVKQDK-UHFFFAOYSA-N
XLogP4.27
TPSA102.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.47
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide (CID 24852492) is N-(2-hydroxyethyl)-2-[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide is CC(C)Oc1ccc(-c2nc(-c3cccc4c3ccn4CC(=O)NCCO)no2)cc1C(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-2-[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide?
The InChIKey is WRXGHEKWIVKQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O4/c1-14(2)34-20-7-6-15(12-18(20)24(25,26)27)23-29-22(30-35-23)17-4-3-5-19-16(17)8-10-31(19)13-21(33)28-9-11-32/h3-8,10,12,14,32H,9,11,13H2,1-2H3,(H,28,33).
What are the key properties of N-(2-hydroxyethyl)-2-[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide?
N-(2-hydroxyethyl)-2-[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide has a molecular weight of 488.47 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide is sourced from PubChem (CID 24852492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).