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

C8H13N3O2 — CID 58128953

IUPAC2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
SMILESCc1nnc(CNC(=O)C(C)C)o1
InChIInChI=1S/C8H13N3O2/c1-5(2)8(12)9-4-7-11-10-6(3)13-7/h5H,4H2,1-3H3,(H,9,12)
InChIKeyPJGNKGNLIKCUPW-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.65
Rot. Bonds3

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

2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide (PubChem CID 58128953) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
PubChem CID58128953
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
SMILESCc1nnc(CNC(=O)C(C)C)o1
InChIInChI=1S/C8H13N3O2/c1-5(2)8(12)9-4-7-11-10-6(3)13-7/h5H,4H2,1-3H3,(H,9,12)
InChIKeyPJGNKGNLIKCUPW-UHFFFAOYSA-N
XLogP0.65
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide (CID 58128953) is 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide is Cc1nnc(CNC(=O)C(C)C)o1.
What is the InChIKey of 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The InChIKey is PJGNKGNLIKCUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5(2)8(12)9-4-7-11-10-6(3)13-7/h5H,4H2,1-3H3,(H,9,12).
What are the key properties of 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide has a molecular weight of 183.21 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 58128953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).