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

C20H19F2N5O2 — CID 98065327

IUPAC3,5-difluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1CCC(c2nnc(-c3cnccn3)o2)CC1)c1cc(F)cc(F)c1
InChIInChI=1S/C20H19F2N5O2/c21-15-7-14(8-16(22)9-15)18(28)25-10-12-1-3-13(4-2-12)19-26-27-20(29-19)17-11-23-5-6-24-17/h5-9,11-13H,1-4,10H2,(H,25,28)
InChIKeyYFRUTQDNRYOEMA-UHFFFAOYSA-N
MW399.40 g/mol
LogP3.51
Rot. Bonds5

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

3,5-difluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide (PubChem CID 98065327) has the molecular formula C20H19F2N5O2 and a molecular weight of 399.40 g/mol. Its IUPAC name is 3,5-difluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide
PubChem CID98065327
Molecular FormulaC20H19F2N5O2
Molecular Weight399.40 g/mol
Exact Mass399.15
IUPAC Name3,5-difluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1CCC(c2nnc(-c3cnccn3)o2)CC1)c1cc(F)cc(F)c1
InChIInChI=1S/C20H19F2N5O2/c21-15-7-14(8-16(22)9-15)18(28)25-10-12-1-3-13(4-2-12)19-26-27-20(29-19)17-11-23-5-6-24-17/h5-9,11-13H,1-4,10H2,(H,25,28)
InChIKeyYFRUTQDNRYOEMA-UHFFFAOYSA-N
XLogP3.51
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide
CID 98065313
2-(4-tert-butylphenoxy)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
CID 98065363
1,2-dimethyl-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]indole-3-carboxamide
CID 98065349
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
CID 98065359
4-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]benzamide
CID 98065364
N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 98065279
5-fluoro-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1H-indole-2-carboxamide
CID 98065399
2-(2-fluorophenyl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
CID 98065267
N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-3-methoxybenzamide
CID 98076100
4,5-dimethyl-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]thiophene-3-carboxamide
CID 98065276
2-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
CID 98065400
4-fluoro-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1H-indole-2-carboxamide
CID 98065397

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide (CID 98065327) is 3,5-difluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide is O=C(NCC1CCC(c2nnc(-c3cnccn3)o2)CC1)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide?
The InChIKey is YFRUTQDNRYOEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O2/c21-15-7-14(8-16(22)9-15)18(28)25-10-12-1-3-13(4-2-12)19-26-27-20(29-19)17-11-23-5-6-24-17/h5-9,11-13H,1-4,10H2,(H,25,28).
What are the key properties of 3,5-difluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide?
3,5-difluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide has a molecular weight of 399.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 98065327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).