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

C18H23N3O2 — CID 53181911

IUPACN-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(2-methylphenyl)acetamide
SMILESCc1noc(C2(NC(=O)Cc3ccccc3C)CCCCC2)n1
InChIInChI=1S/C18H23N3O2/c1-13-8-4-5-9-15(13)12-16(22)20-18(10-6-3-7-11-18)17-19-14(2)21-23-17/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H,20,22)
InChIKeyVWEOQDZZBMHFDW-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.20
Rot. Bonds4

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

N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(2-methylphenyl)acetamide (PubChem CID 53181911) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(2-methylphenyl)acetamide
PubChem CID53181911
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(2-methylphenyl)acetamide
SMILESCc1noc(C2(NC(=O)Cc3ccccc3C)CCCCC2)n1
InChIInChI=1S/C18H23N3O2/c1-13-8-4-5-9-15(13)12-16(22)20-18(10-6-3-7-11-18)17-19-14(2)21-23-17/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H,20,22)
InChIKeyVWEOQDZZBMHFDW-UHFFFAOYSA-N
XLogP3.20
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(2-methylphenyl)acetamide (CID 53181911) is N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(2-methylphenyl)acetamide is Cc1noc(C2(NC(=O)Cc3ccccc3C)CCCCC2)n1.
What is the InChIKey of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(2-methylphenyl)acetamide?
The InChIKey is VWEOQDZZBMHFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-8-4-5-9-15(13)12-16(22)20-18(10-6-3-7-11-18)17-19-14(2)21-23-17/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(2-methylphenyl)acetamide?
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(2-methylphenyl)acetamide has a molecular weight of 313.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 53181911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).