2-(4,4-dimethylcyclohexyl)-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide

C20H33N3O3 — CID 126820144

IUPAC2-(4,4-dimethylcyclohexyl)-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide
SMILESCC(C)c1noc(C2(NC(=O)CC3CCC(C)(C)CC3)CCOCC2)n1
InChIInChI=1S/C20H33N3O3/c1-14(2)17-21-18(26-23-17)20(9-11-25-12-10-20)22-16(24)13-15-5-7-19(3,4)8-6-15/h14-15H,5-13H2,1-4H3,(H,22,24)
InChIKeyBIFHTAMZDUBCAN-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.92
Rot. Bonds5

About 2-(4,4-dimethylcyclohexyl)-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide

2-(4,4-dimethylcyclohexyl)-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide (PubChem CID 126820144) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexyl)-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexyl)-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide
PubChem CID126820144
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Name2-(4,4-dimethylcyclohexyl)-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide
SMILESCC(C)c1noc(C2(NC(=O)CC3CCC(C)(C)CC3)CCOCC2)n1
InChIInChI=1S/C20H33N3O3/c1-14(2)17-21-18(26-23-17)20(9-11-25-12-10-20)22-16(24)13-15-5-7-19(3,4)8-6-15/h14-15H,5-13H2,1-4H3,(H,22,24)
InChIKeyBIFHTAMZDUBCAN-UHFFFAOYSA-N
XLogP3.92
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohexyl)-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide?
The IUPAC name of 2-(4,4-dimethylcyclohexyl)-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide (CID 126820144) is 2-(4,4-dimethylcyclohexyl)-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide.
What is the SMILES notation for 2-(4,4-dimethylcyclohexyl)-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide?
The canonical SMILES for 2-(4,4-dimethylcyclohexyl)-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide is CC(C)c1noc(C2(NC(=O)CC3CCC(C)(C)CC3)CCOCC2)n1.
What is the InChIKey of 2-(4,4-dimethylcyclohexyl)-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide?
The InChIKey is BIFHTAMZDUBCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-14(2)17-21-18(26-23-17)20(9-11-25-12-10-20)22-16(24)13-15-5-7-19(3,4)8-6-15/h14-15H,5-13H2,1-4H3,(H,22,24).
What are the key properties of 2-(4,4-dimethylcyclohexyl)-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide?
2-(4,4-dimethylcyclohexyl)-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide has a molecular weight of 363.50 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexyl)-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide is sourced from PubChem (CID 126820144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).