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

C14H23N3O2 — CID 50754791

IUPACN-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1noc(C2CCCCC2)n1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)13(18)15-9-11-16-12(19-17-11)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H,15,18)
InChIKeyCZRIUSWCWPHRLT-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.78
Rot. Bonds3

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

N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 50754791) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylpropanamide
PubChem CID50754791
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1noc(C2CCCCC2)n1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)13(18)15-9-11-16-12(19-17-11)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H,15,18)
InChIKeyCZRIUSWCWPHRLT-UHFFFAOYSA-N
XLogP2.78
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylpropanamide (CID 50754791) is N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCc1noc(C2CCCCC2)n1.
What is the InChIKey of N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is CZRIUSWCWPHRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,3)13(18)15-9-11-16-12(19-17-11)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H,15,18).
What are the key properties of N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylpropanamide?
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 265.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 50754791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).