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

C19H21F3N6O3 — CID 155272392

IUPACN-[(1S)-1-[3-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCOC(C)(C)c1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ccn1
InChIInChI=1S/C19H21F3N6O3/c1-10(24-16(29)12-9-14(19(20,21)22)26-28(12)4)17-25-15(27-31-17)11-6-7-23-13(8-11)18(2,3)30-5/h6-10H,1-5H3,(H,24,29)/t10-/m0/s1
InChIKeyZQWCOTUMYXFMIV-JTQLQIEISA-N
MW438.41 g/mol
LogP3.26
Rot. Bonds6

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

N-[(1S)-1-[3-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 155272392) has the molecular formula C19H21F3N6O3 and a molecular weight of 438.41 g/mol. Its IUPAC name is N-[(1S)-1-[3-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID155272392
Molecular FormulaC19H21F3N6O3
Molecular Weight438.41 g/mol
Exact Mass438.16
IUPAC NameN-[(1S)-1-[3-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCOC(C)(C)c1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ccn1
InChIInChI=1S/C19H21F3N6O3/c1-10(24-16(29)12-9-14(19(20,21)22)26-28(12)4)17-25-15(27-31-17)11-6-7-23-13(8-11)18(2,3)30-5/h6-10H,1-5H3,(H,24,29)/t10-/m0/s1
InChIKeyZQWCOTUMYXFMIV-JTQLQIEISA-N
XLogP3.26
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(1S)-1-[3-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[(1S)-1-[3-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 155272392) is N-[(1S)-1-[3-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-[3-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-[3-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is COC(C)(C)c1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ccn1.
What is the InChIKey of N-[(1S)-1-[3-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is ZQWCOTUMYXFMIV-JTQLQIEISA-N. The full InChI is InChI=1S/C19H21F3N6O3/c1-10(24-16(29)12-9-14(19(20,21)22)26-28(12)4)17-25-15(27-31-17)11-6-7-23-13(8-11)18(2,3)30-5/h6-10H,1-5H3,(H,24,29)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-[3-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[(1S)-1-[3-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 438.41 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 155272392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).