2,5-difluoro-4-hydroxy-N-[[4-[3-[5-(trifluoromethyl)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methyl]benzamide

C21H18F5N5O3 — CID 171469243

IUPAC2,5-difluoro-4-hydroxy-N-[[4-[3-[5-(trifluoromethyl)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methyl]benzamide
SMILESO=C(NCC1CCC(c2nc(-c3cnc(C(F)(F)F)cn3)no2)CC1)c1cc(F)c(O)cc1F
InChIInChI=1S/C21H18F5N5O3/c22-13-6-16(32)14(23)5-12(13)19(33)29-7-10-1-3-11(4-2-10)20-30-18(31-34-20)15-8-28-17(9-27-15)21(24,25)26/h5-6,8-11,32H,1-4,7H2,(H,29,33)
InChIKeyLMIQPBKZORRIFR-UHFFFAOYSA-N
MW483.40 g/mol
LogP4.23
Rot. Bonds5

About 2,5-difluoro-4-hydroxy-N-[[4-[3-[5-(trifluoromethyl)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methyl]benzamide

2,5-difluoro-4-hydroxy-N-[[4-[3-[5-(trifluoromethyl)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methyl]benzamide (PubChem CID 171469243) has the molecular formula C21H18F5N5O3 and a molecular weight of 483.40 g/mol. Its IUPAC name is 2,5-difluoro-4-hydroxy-N-[[4-[3-[5-(trifluoromethyl)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-4-hydroxy-N-[[4-[3-[5-(trifluoromethyl)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methyl]benzamide
PubChem CID171469243
Molecular FormulaC21H18F5N5O3
Molecular Weight483.40 g/mol
Exact Mass483.13
IUPAC Name2,5-difluoro-4-hydroxy-N-[[4-[3-[5-(trifluoromethyl)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methyl]benzamide
SMILESO=C(NCC1CCC(c2nc(-c3cnc(C(F)(F)F)cn3)no2)CC1)c1cc(F)c(O)cc1F
InChIInChI=1S/C21H18F5N5O3/c22-13-6-16(32)14(23)5-12(13)19(33)29-7-10-1-3-11(4-2-10)20-30-18(31-34-20)15-8-28-17(9-27-15)21(24,25)26/h5-6,8-11,32H,1-4,7H2,(H,29,33)
InChIKeyLMIQPBKZORRIFR-UHFFFAOYSA-N
XLogP4.23
TPSA114.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.40
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-difluoro-4-[(4-methoxyphenyl)methoxy]-N-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methyl]benzamide
CID 171469223
3,5-difluoro-4-hydroxy-N-[[4-[3-(6-oxo-1H-pyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methyl]benzamide
CID 171503884
3,5-difluoro-4-hydroxy-N-[[4-[3-(6-oxo-1H-pyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methyl]benzamide;ethane
CID 171503883
3,5-difluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide
CID 98065327
2-fluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide
CID 98065313
N-(cyclopropylmethyl)-2-fluoro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 171905768
N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide
CID 60727294
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoropyridine-3-carboxamide
CID 131918823
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 56706456
N-[(4-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 106124653
N-[(4-chlorocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 106134004
2-fluoro-4-hydroxy-N-(oxolan-2-ylmethyl)benzamide
CID 113355583

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-hydroxy-N-[[4-[3-[5-(trifluoromethyl)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methyl]benzamide?
The IUPAC name of 2,5-difluoro-4-hydroxy-N-[[4-[3-[5-(trifluoromethyl)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methyl]benzamide (CID 171469243) is 2,5-difluoro-4-hydroxy-N-[[4-[3-[5-(trifluoromethyl)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methyl]benzamide.
What is the SMILES notation for 2,5-difluoro-4-hydroxy-N-[[4-[3-[5-(trifluoromethyl)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methyl]benzamide?
The canonical SMILES for 2,5-difluoro-4-hydroxy-N-[[4-[3-[5-(trifluoromethyl)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methyl]benzamide is O=C(NCC1CCC(c2nc(-c3cnc(C(F)(F)F)cn3)no2)CC1)c1cc(F)c(O)cc1F.
What is the InChIKey of 2,5-difluoro-4-hydroxy-N-[[4-[3-[5-(trifluoromethyl)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methyl]benzamide?
The InChIKey is LMIQPBKZORRIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F5N5O3/c22-13-6-16(32)14(23)5-12(13)19(33)29-7-10-1-3-11(4-2-10)20-30-18(31-34-20)15-8-28-17(9-27-15)21(24,25)26/h5-6,8-11,32H,1-4,7H2,(H,29,33).
What are the key properties of 2,5-difluoro-4-hydroxy-N-[[4-[3-[5-(trifluoromethyl)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methyl]benzamide?
2,5-difluoro-4-hydroxy-N-[[4-[3-[5-(trifluoromethyl)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methyl]benzamide has a molecular weight of 483.40 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-hydroxy-N-[[4-[3-[5-(trifluoromethyl)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methyl]benzamide is sourced from PubChem (CID 171469243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).