N-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-3-carboxamide

C20H15F3N4O3 — CID 122581694

IUPACN-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-3-carboxamide
SMILESO=C(N[C@@H](CO)c1nc(-c2cccc(C(F)(F)F)c2)no1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H15F3N4O3/c21-20(22,23)12-5-3-4-11(8-12)17-26-19(30-27-17)16(10-28)25-18(29)14-9-24-15-7-2-1-6-13(14)15/h1-9,16,24,28H,10H2,(H,25,29)/t16-/m0/s1
InChIKeyWDAORWFHJLGXHS-INIZCTEOSA-N
MW416.36 g/mol
LogP3.70
Rot. Bonds5

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

N-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-3-carboxamide (PubChem CID 122581694) has the molecular formula C20H15F3N4O3 and a molecular weight of 416.36 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-3-carboxamide
PubChem CID122581694
Molecular FormulaC20H15F3N4O3
Molecular Weight416.36 g/mol
Exact Mass416.11
IUPAC NameN-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-3-carboxamide
SMILESO=C(N[C@@H](CO)c1nc(-c2cccc(C(F)(F)F)c2)no1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H15F3N4O3/c21-20(22,23)12-5-3-4-11(8-12)17-26-19(30-27-17)16(10-28)25-18(29)14-9-24-15-7-2-1-6-13(14)15/h1-9,16,24,28H,10H2,(H,25,29)/t16-/m0/s1
InChIKeyWDAORWFHJLGXHS-INIZCTEOSA-N
XLogP3.70
TPSA104.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.36
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-3-carboxamide (CID 122581694) is N-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-3-carboxamide is O=C(N[C@@H](CO)c1nc(-c2cccc(C(F)(F)F)c2)no1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-3-carboxamide?
The InChIKey is WDAORWFHJLGXHS-INIZCTEOSA-N. The full InChI is InChI=1S/C20H15F3N4O3/c21-20(22,23)12-5-3-4-11(8-12)17-26-19(30-27-17)16(10-28)25-18(29)14-9-24-15-7-2-1-6-13(14)15/h1-9,16,24,28H,10H2,(H,25,29)/t16-/m0/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-3-carboxamide?
N-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-3-carboxamide has a molecular weight of 416.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 122581694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).