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

C24H29N5O3 — CID 98065400

IUPAC2-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
SMILESCc1cnc(-c2nnc(C3CCC(CNC(=O)c4c(C)oc5c4CCCC5)CC3)o2)cn1
InChIInChI=1S/C24H29N5O3/c1-14-11-26-19(13-25-14)24-29-28-23(32-24)17-9-7-16(8-10-17)12-27-22(30)21-15(2)31-20-6-4-3-5-18(20)21/h11,13,16-17H,3-10,12H2,1-2H3,(H,27,30)
InChIKeyXFACAKSOFLGRNH-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.32
Rot. Bonds5

About 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

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 (PubChem CID 98065400) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID98065400
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name2-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
SMILESCc1cnc(-c2nnc(C3CCC(CNC(=O)c4c(C)oc5c4CCCC5)CC3)o2)cn1
InChIInChI=1S/C24H29N5O3/c1-14-11-26-19(13-25-14)24-29-28-23(32-24)17-9-7-16(8-10-17)12-27-22(30)21-15(2)31-20-6-4-3-5-18(20)21/h11,13,16-17H,3-10,12H2,1-2H3,(H,27,30)
InChIKeyXFACAKSOFLGRNH-UHFFFAOYSA-N
XLogP4.32
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

4-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]benzamide
CID 98065364
5-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1-benzofuran-2-carboxamide
CID 98065394
5-fluoro-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1H-indole-2-carboxamide
CID 98065399
4-fluoro-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1H-indole-2-carboxamide
CID 98065397
1,2-dimethyl-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]indole-3-carboxamide
CID 98065349
3,5-difluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide
CID 98065327
[4-[(dimethylamino)methyl]phenyl]-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 92563190
2-fluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide
CID 98065313
1-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-2-[(2S)-oxan-2-yl]ethanone
CID 92563176
2-(4-methoxyphenoxy)-N-[[4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide
CID 98065252
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cnc(-c2nnc(C3CCC(CNC(=O)c4c(C)oc5c4CCCC5)CC3)o2)cn1.
What is the InChIKey of 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?
The InChIKey is XFACAKSOFLGRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-14-11-26-19(13-25-14)24-29-28-23(32-24)17-9-7-16(8-10-17)12-27-22(30)21-15(2)31-20-6-4-3-5-18(20)21/h11,13,16-17H,3-10,12H2,1-2H3,(H,27,30).
What are the key properties of 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?
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 has a molecular weight of 435.53 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 98065400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).