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

C22H25N5O2 — CID 98065364

IUPAC4-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]benzamide
SMILESCc1ccc(C(=O)NCC2CCC(c3nnc(-c4cnc(C)cn4)o3)CC2)cc1
InChIInChI=1S/C22H25N5O2/c1-14-3-7-17(8-4-14)20(28)25-12-16-5-9-18(10-6-16)21-26-27-22(29-21)19-13-23-15(2)11-24-19/h3-4,7-8,11,13,16,18H,5-6,9-10,12H2,1-2H3,(H,25,28)
InChIKeyKKVMGXQETJROSJ-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.85
Rot. Bonds5

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

4-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]benzamide (PubChem CID 98065364) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]benzamide
PubChem CID98065364
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name4-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]benzamide
SMILESCc1ccc(C(=O)NCC2CCC(c3nnc(-c4cnc(C)cn4)o3)CC2)cc1
InChIInChI=1S/C22H25N5O2/c1-14-3-7-17(8-4-14)20(28)25-12-16-5-9-18(10-6-16)21-26-27-22(29-21)19-13-23-15(2)11-24-19/h3-4,7-8,11,13,16,18H,5-6,9-10,12H2,1-2H3,(H,25,28)
InChIKeyKKVMGXQETJROSJ-UHFFFAOYSA-N
XLogP3.85
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]benzamide?
The IUPAC name of 4-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]benzamide (CID 98065364) is 4-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]benzamide.
What is the SMILES notation for 4-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]benzamide?
The canonical SMILES for 4-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]benzamide is Cc1ccc(C(=O)NCC2CCC(c3nnc(-c4cnc(C)cn4)o3)CC2)cc1.
What is the InChIKey of 4-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]benzamide?
The InChIKey is KKVMGXQETJROSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-14-3-7-17(8-4-14)20(28)25-12-16-5-9-18(10-6-16)21-26-27-22(29-21)19-13-23-15(2)11-24-19/h3-4,7-8,11,13,16,18H,5-6,9-10,12H2,1-2H3,(H,25,28).
What are the key properties of 4-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]benzamide?
4-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]benzamide has a molecular weight of 391.48 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]benzamide is sourced from PubChem (CID 98065364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).