N-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C16H14F3N5O3 — CID 162768015

IUPACN-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccc(O)c2)no1
InChIInChI=1S/C16H14F3N5O3/c1-8(15-21-13(23-27-15)9-4-3-5-10(25)6-9)20-14(26)11-7-12(16(17,18)19)22-24(11)2/h3-8,25H,1-2H3,(H,20,26)
InChIKeyNWUOYDJIJUTUSN-UHFFFAOYSA-N
MW381.31 g/mol
LogP2.69
Rot. Bonds4

About N-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 162768015) has the molecular formula C16H14F3N5O3 and a molecular weight of 381.31 g/mol. Its IUPAC name is N-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID162768015
Molecular FormulaC16H14F3N5O3
Molecular Weight381.31 g/mol
Exact Mass381.10
IUPAC NameN-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccc(O)c2)no1
InChIInChI=1S/C16H14F3N5O3/c1-8(15-21-13(23-27-15)9-4-3-5-10(25)6-9)20-14(26)11-7-12(16(17,18)19)22-24(11)2/h3-8,25H,1-2H3,(H,20,26)
InChIKeyNWUOYDJIJUTUSN-UHFFFAOYSA-N
XLogP2.69
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 162768015) is N-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is CC(NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccc(O)c2)no1.
What is the InChIKey of N-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is NWUOYDJIJUTUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O3/c1-8(15-21-13(23-27-15)9-4-3-5-10(25)6-9)20-14(26)11-7-12(16(17,18)19)22-24(11)2/h3-8,25H,1-2H3,(H,20,26).
What are the key properties of N-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 381.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 162768015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).