2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide

C22H29N5O3 — CID 78857250

IUPAC2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(N(C)C(=O)CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1
InChIInChI=1S/C22H29N5O3/c1-16-5-7-17(8-6-16)25(2)20(28)15-26-9-11-27(12-10-26)22-18(14-23)24-21(30-22)19-4-3-13-29-19/h3-4,13,16-17H,5-12,15H2,1-2H3
InChIKeyAIKNDMLRNZUBLM-UHFFFAOYSA-N
MW411.51 g/mol
LogP2.97
Rot. Bonds5

About 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide

2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide (PubChem CID 78857250) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
PubChem CID78857250
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(N(C)C(=O)CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1
InChIInChI=1S/C22H29N5O3/c1-16-5-7-17(8-6-16)25(2)20(28)15-26-9-11-27(12-10-26)22-18(14-23)24-21(30-22)19-4-3-13-29-19/h3-4,13,16-17H,5-12,15H2,1-2H3
InChIKeyAIKNDMLRNZUBLM-UHFFFAOYSA-N
XLogP2.97
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide (CID 78857250) is 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide is CC1CCC(N(C)C(=O)CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1.
What is the InChIKey of 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The InChIKey is AIKNDMLRNZUBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-16-5-7-17(8-6-16)25(2)20(28)15-26-9-11-27(12-10-26)22-18(14-23)24-21(30-22)19-4-3-13-29-19/h3-4,13,16-17H,5-12,15H2,1-2H3.
What are the key properties of 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide has a molecular weight of 411.51 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 78857250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).