N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide

C21H17F3N4O3 — CID 122581788

IUPACN-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NC(CO)c1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C21H17F3N4O3/c22-21(23,24)14-7-5-12(6-8-14)19-27-20(31-28-19)17(11-29)26-18(30)9-13-10-25-16-4-2-1-3-15(13)16/h1-8,10,17,25,29H,9,11H2,(H,26,30)
InChIKeyBPIRCAVAGXABAN-UHFFFAOYSA-N
MW430.39 g/mol
LogP3.63
Rot. Bonds6

About N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide

N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 122581788) has the molecular formula C21H17F3N4O3 and a molecular weight of 430.39 g/mol. Its IUPAC name is N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide
PubChem CID122581788
Molecular FormulaC21H17F3N4O3
Molecular Weight430.39 g/mol
Exact Mass430.13
IUPAC NameN-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NC(CO)c1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C21H17F3N4O3/c22-21(23,24)14-7-5-12(6-8-14)19-27-20(31-28-19)17(11-29)26-18(30)9-13-10-25-16-4-2-1-3-15(13)16/h1-8,10,17,25,29H,9,11H2,(H,26,30)
InChIKeyBPIRCAVAGXABAN-UHFFFAOYSA-N
XLogP3.63
TPSA104.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide (CID 122581788) is N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)NC(CO)c1nc(-c2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is BPIRCAVAGXABAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O3/c22-21(23,24)14-7-5-12(6-8-14)19-27-20(31-28-19)17(11-29)26-18(30)9-13-10-25-16-4-2-1-3-15(13)16/h1-8,10,17,25,29H,9,11H2,(H,26,30).
What are the key properties of N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide?
N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 430.39 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 122581788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).