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

C20H20FN5O2 — CID 98065313

IUPAC2-fluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1CCC(c2nnc(-c3cnccn3)o2)CC1)c1ccccc1F
InChIInChI=1S/C20H20FN5O2/c21-16-4-2-1-3-15(16)18(27)24-11-13-5-7-14(8-6-13)19-25-26-20(28-19)17-12-22-9-10-23-17/h1-4,9-10,12-14H,5-8,11H2,(H,24,27)
InChIKeyVXJVCMLQAHALBO-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.37
Rot. Bonds5

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

2-fluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide (PubChem CID 98065313) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-fluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide
PubChem CID98065313
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name2-fluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1CCC(c2nnc(-c3cnccn3)o2)CC1)c1ccccc1F
InChIInChI=1S/C20H20FN5O2/c21-16-4-2-1-3-15(16)18(27)24-11-13-5-7-14(8-6-13)19-25-26-20(28-19)17-12-22-9-10-23-17/h1-4,9-10,12-14H,5-8,11H2,(H,24,27)
InChIKeyVXJVCMLQAHALBO-UHFFFAOYSA-N
XLogP3.37
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-difluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide
CID 98065327
1,2-dimethyl-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]indole-3-carboxamide
CID 98065349
2-(2-fluorophenyl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
CID 98065267
2-(4-tert-butylphenoxy)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
CID 98065363
4,5-dimethyl-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]thiophene-3-carboxamide
CID 98065276
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-fluoro-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1H-indole-2-carboxamide
CID 98065397
N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 98065279
N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-2-methylbenzamide
CID 98076082
4-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]benzamide
CID 98065364
2-methoxy-N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
CID 98065189
4-fluoro-N-[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide
CID 98065178

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide (CID 98065313) is 2-fluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide is O=C(NCC1CCC(c2nnc(-c3cnccn3)o2)CC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide?
The InChIKey is VXJVCMLQAHALBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c21-16-4-2-1-3-15(16)18(27)24-11-13-5-7-14(8-6-13)19-25-26-20(28-19)17-12-22-9-10-23-17/h1-4,9-10,12-14H,5-8,11H2,(H,24,27).
What are the key properties of 2-fluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide?
2-fluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide has a molecular weight of 381.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 98065313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).