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

C12H20N4O3 — CID 91798338

IUPAC3-acetamido-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
SMILESCC(=O)NCCC(=O)N(C)Cc1noc(C(C)C)n1
InChIInChI=1S/C12H20N4O3/c1-8(2)12-14-10(15-19-12)7-16(4)11(18)5-6-13-9(3)17/h8H,5-7H2,1-4H3,(H,13,17)
InChIKeyXHHQYXBJNILTTP-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.68
Rot. Bonds6

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

3-acetamido-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide (PubChem CID 91798338) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-acetamido-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
PubChem CID91798338
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name3-acetamido-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
SMILESCC(=O)NCCC(=O)N(C)Cc1noc(C(C)C)n1
InChIInChI=1S/C12H20N4O3/c1-8(2)12-14-10(15-19-12)7-16(4)11(18)5-6-13-9(3)17/h8H,5-7H2,1-4H3,(H,13,17)
InChIKeyXHHQYXBJNILTTP-UHFFFAOYSA-N
XLogP0.68
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The IUPAC name of 3-acetamido-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide (CID 91798338) is 3-acetamido-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-acetamido-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-acetamido-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide is CC(=O)NCCC(=O)N(C)Cc1noc(C(C)C)n1.
What is the InChIKey of 3-acetamido-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The InChIKey is XHHQYXBJNILTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-8(2)12-14-10(15-19-12)7-16(4)11(18)5-6-13-9(3)17/h8H,5-7H2,1-4H3,(H,13,17).
What are the key properties of 3-acetamido-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
3-acetamido-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide has a molecular weight of 268.32 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide is sourced from PubChem (CID 91798338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).