2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide

C20H25N5O2S — CID 98065436

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
SMILESCc1cc(C)n(CC(=O)NCC2CCC(c3nnc(-c4cccs4)o3)CC2)n1
InChIInChI=1S/C20H25N5O2S/c1-13-10-14(2)25(24-13)12-18(26)21-11-15-5-7-16(8-6-15)19-22-23-20(27-19)17-4-3-9-28-17/h3-4,9-10,15-16H,5-8,11-12H2,1-2H3,(H,21,26)
InChIKeyFPZHEAAJDPNWEP-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.70
Rot. Bonds6

About 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide (PubChem CID 98065436) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
PubChem CID98065436
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
SMILESCc1cc(C)n(CC(=O)NCC2CCC(c3nnc(-c4cccs4)o3)CC2)n1
InChIInChI=1S/C20H25N5O2S/c1-13-10-14(2)25(24-13)12-18(26)21-11-15-5-7-16(8-6-15)19-22-23-20(27-19)17-4-3-9-28-17/h3-4,9-10,15-16H,5-8,11-12H2,1-2H3,(H,21,26)
InChIKeyFPZHEAAJDPNWEP-UHFFFAOYSA-N
XLogP3.70
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide (CID 98065436) is 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide is Cc1cc(C)n(CC(=O)NCC2CCC(c3nnc(-c4cccs4)o3)CC2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide?
The InChIKey is FPZHEAAJDPNWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-13-10-14(2)25(24-13)12-18(26)21-11-15-5-7-16(8-6-15)19-22-23-20(27-19)17-4-3-9-28-17/h3-4,9-10,15-16H,5-8,11-12H2,1-2H3,(H,21,26).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide has a molecular weight of 399.52 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide is sourced from PubChem (CID 98065436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).