2,3,3-trimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butanamide

C11H19N3O2 — CID 70795304

IUPAC2,3,3-trimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
SMILESCc1nnc(CNC(=O)C(C)C(C)(C)C)o1
InChIInChI=1S/C11H19N3O2/c1-7(11(3,4)5)10(15)12-6-9-14-13-8(2)16-9/h7H,6H2,1-5H3,(H,12,15)
InChIKeyRAAPGBUEYMMSPI-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.68
Rot. Bonds3

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

2,3,3-trimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butanamide (PubChem CID 70795304) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2,3,3-trimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name2,3,3-trimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
PubChem CID70795304
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2,3,3-trimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
SMILESCc1nnc(CNC(=O)C(C)C(C)(C)C)o1
InChIInChI=1S/C11H19N3O2/c1-7(11(3,4)5)10(15)12-6-9-14-13-8(2)16-9/h7H,6H2,1-5H3,(H,12,15)
InChIKeyRAAPGBUEYMMSPI-UHFFFAOYSA-N
XLogP1.68
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butanamide?
The IUPAC name of 2,3,3-trimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butanamide (CID 70795304) is 2,3,3-trimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butanamide.
What is the SMILES notation for 2,3,3-trimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butanamide?
The canonical SMILES for 2,3,3-trimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butanamide is Cc1nnc(CNC(=O)C(C)C(C)(C)C)o1.
What is the InChIKey of 2,3,3-trimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butanamide?
The InChIKey is RAAPGBUEYMMSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7(11(3,4)5)10(15)12-6-9-14-13-8(2)16-9/h7H,6H2,1-5H3,(H,12,15).
What are the key properties of 2,3,3-trimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butanamide?
2,3,3-trimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butanamide has a molecular weight of 225.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butanamide is sourced from PubChem (CID 70795304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).