N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-7-carboxamide

C20H15F3N4O3 — CID 122581785

IUPACN-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-7-carboxamide
SMILESO=C(NC(CO)c1nc(-c2ccc(C(F)(F)F)cc2)no1)c1cccc2cc[nH]c12
InChIInChI=1S/C20H15F3N4O3/c21-20(22,23)13-6-4-12(5-7-13)17-26-19(30-27-17)15(10-28)25-18(29)14-3-1-2-11-8-9-24-16(11)14/h1-9,15,24,28H,10H2,(H,25,29)
InChIKeyAFKFBXAKOJJSOR-UHFFFAOYSA-N
MW416.36 g/mol
LogP3.70
Rot. Bonds5

About N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-7-carboxamide

N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-7-carboxamide (PubChem CID 122581785) has the molecular formula C20H15F3N4O3 and a molecular weight of 416.36 g/mol. Its IUPAC name is N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-7-carboxamide
PubChem CID122581785
Molecular FormulaC20H15F3N4O3
Molecular Weight416.36 g/mol
Exact Mass416.11
IUPAC NameN-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-7-carboxamide
SMILESO=C(NC(CO)c1nc(-c2ccc(C(F)(F)F)cc2)no1)c1cccc2cc[nH]c12
InChIInChI=1S/C20H15F3N4O3/c21-20(22,23)13-6-4-12(5-7-13)17-26-19(30-27-17)15(10-28)25-18(29)14-3-1-2-11-8-9-24-16(11)14/h1-9,15,24,28H,10H2,(H,25,29)
InChIKeyAFKFBXAKOJJSOR-UHFFFAOYSA-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-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-7-carboxamide?
The IUPAC name of N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-7-carboxamide (CID 122581785) is N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-7-carboxamide.
What is the SMILES notation for N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-7-carboxamide?
The canonical SMILES for N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-7-carboxamide is O=C(NC(CO)c1nc(-c2ccc(C(F)(F)F)cc2)no1)c1cccc2cc[nH]c12.
What is the InChIKey of N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-7-carboxamide?
The InChIKey is AFKFBXAKOJJSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O3/c21-20(22,23)13-6-4-12(5-7-13)17-26-19(30-27-17)15(10-28)25-18(29)14-3-1-2-11-8-9-24-16(11)14/h1-9,15,24,28H,10H2,(H,25,29).
What are the key properties of N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-7-carboxamide?
N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-7-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-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 122581785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).