2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide

C25H27N5O3 — CID 98065359

IUPAC2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
SMILESCc1cc(C)c2c(CC(=O)NCC3CCC(c4nnc(-c5cnccn5)o4)CC3)coc2c1
InChIInChI=1S/C25H27N5O3/c1-15-9-16(2)23-19(14-32-21(23)10-15)11-22(31)28-12-17-3-5-18(6-4-17)24-29-30-25(33-24)20-13-26-7-8-27-20/h7-10,13-14,17-18H,3-6,11-12H2,1-2H3,(H,28,31)
InChIKeyYFZZFSRPVMCLPA-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.52
Rot. Bonds6

About 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide

2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide (PubChem CID 98065359) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
PubChem CID98065359
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
SMILESCc1cc(C)c2c(CC(=O)NCC3CCC(c4nnc(-c5cnccn5)o4)CC3)coc2c1
InChIInChI=1S/C25H27N5O3/c1-15-9-16(2)23-19(14-32-21(23)10-15)11-22(31)28-12-17-3-5-18(6-4-17)24-29-30-25(33-24)20-13-26-7-8-27-20/h7-10,13-14,17-18H,3-6,11-12H2,1-2H3,(H,28,31)
InChIKeyYFZZFSRPVMCLPA-UHFFFAOYSA-N
XLogP4.52
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
2-(4-tert-butylphenoxy)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
CID 98065363
2-fluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide
CID 98065313
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
4-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]benzamide
CID 98065364
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
CID 98065275
5-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1-benzofuran-2-carboxamide
CID 98065394
2-methoxy-N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
CID 98065189
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
N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-2-pyridin-3-ylacetamide
CID 98076083
4-(2,4-dimethylphenoxy)-1-[3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110235518

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide?
The IUPAC name of 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) is 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide is Cc1cc(C)c2c(CC(=O)NCC3CCC(c4nnc(-c5cnccn5)o4)CC3)coc2c1.
What is the InChIKey of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide?
The InChIKey is YFZZFSRPVMCLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-15-9-16(2)23-19(14-32-21(23)10-15)11-22(31)28-12-17-3-5-18(6-4-17)24-29-30-25(33-24)20-13-26-7-8-27-20/h7-10,13-14,17-18H,3-6,11-12H2,1-2H3,(H,28,31).
What are the key properties of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide?
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide has a molecular weight of 445.52 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide is sourced from PubChem (CID 98065359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).