5,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexanamide

C12H21N3O2 — CID 56793421

IUPAC5,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexanamide
SMILESCc1nc(CNC(=O)CCCC(C)(C)C)no1
InChIInChI=1S/C12H21N3O2/c1-9-14-10(15-17-9)8-13-11(16)6-5-7-12(2,3)4/h5-8H2,1-4H3,(H,13,16)
InChIKeyBACDLFKATIJJPL-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.21
Rot. Bonds5

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

5,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexanamide (PubChem CID 56793421) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexanamide.

Molecular Properties

Compound Name5,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexanamide
PubChem CID56793421
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name5,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexanamide
SMILESCc1nc(CNC(=O)CCCC(C)(C)C)no1
InChIInChI=1S/C12H21N3O2/c1-9-14-10(15-17-9)8-13-11(16)6-5-7-12(2,3)4/h5-8H2,1-4H3,(H,13,16)
InChIKeyBACDLFKATIJJPL-UHFFFAOYSA-N
XLogP2.21
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexanamide?
The IUPAC name of 5,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexanamide (CID 56793421) is 5,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexanamide.
What is the SMILES notation for 5,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexanamide?
The canonical SMILES for 5,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexanamide is Cc1nc(CNC(=O)CCCC(C)(C)C)no1.
What is the InChIKey of 5,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexanamide?
The InChIKey is BACDLFKATIJJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9-14-10(15-17-9)8-13-11(16)6-5-7-12(2,3)4/h5-8H2,1-4H3,(H,13,16).
What are the key properties of 5,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexanamide?
5,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexanamide has a molecular weight of 239.32 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexanamide is sourced from PubChem (CID 56793421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).