N-(2-methylcyclohexyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide

C12H19N3O3 — CID 146082758

IUPACN-(2-methylcyclohexyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
SMILESCc1noc(=O)n1CC(=O)NC1CCCCC1C
InChIInChI=1S/C12H19N3O3/c1-8-5-3-4-6-10(8)13-11(16)7-15-9(2)14-18-12(15)17/h8,10H,3-7H2,1-2H3,(H,13,16)
InChIKeyIEISOEASAIUEED-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.84
Rot. Bonds3

About N-(2-methylcyclohexyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide

N-(2-methylcyclohexyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide (PubChem CID 146082758) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
PubChem CID146082758
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-(2-methylcyclohexyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
SMILESCc1noc(=O)n1CC(=O)NC1CCCCC1C
InChIInChI=1S/C12H19N3O3/c1-8-5-3-4-6-10(8)13-11(16)7-15-9(2)14-18-12(15)17/h8,10H,3-7H2,1-2H3,(H,13,16)
InChIKeyIEISOEASAIUEED-UHFFFAOYSA-N
XLogP0.84
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
CID 163775309
N-(5-methylhexan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
CID 146075518
N-(4-methylcyclohexyl)-2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 154796898

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide (CID 146082758) is N-(2-methylcyclohexyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide is Cc1noc(=O)n1CC(=O)NC1CCCCC1C.
What is the InChIKey of N-(2-methylcyclohexyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide?
The InChIKey is IEISOEASAIUEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8-5-3-4-6-10(8)13-11(16)7-15-9(2)14-18-12(15)17/h8,10H,3-7H2,1-2H3,(H,13,16).
What are the key properties of N-(2-methylcyclohexyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide?
N-(2-methylcyclohexyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide has a molecular weight of 253.30 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide is sourced from PubChem (CID 146082758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).