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

C8H13N3O2 — CID 130009449

IUPACN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1noc(C)n1
InChIInChI=1S/C8H13N3O2/c1-5(9-6(2)12)4-8-10-7(3)13-11-8/h5H,4H2,1-3H3,(H,9,12)
InChIKeyXOHYBJMWDOWNSG-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.45
Rot. Bonds3

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

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide (PubChem CID 130009449) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide
PubChem CID130009449
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1noc(C)n1
InChIInChI=1S/C8H13N3O2/c1-5(9-6(2)12)4-8-10-7(3)13-11-8/h5H,4H2,1-3H3,(H,9,12)
InChIKeyXOHYBJMWDOWNSG-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 12955451
5-methyl-3-(2-methylbutyl)-1,2,4-oxadiazole
CID 89019114
4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-amine
CID 163277320
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide
CID 130667873
tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamate
CID 167047360
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanamide
CID 107911409
2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 103881620
3-methyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-5-oxopentanoic acid
CID 106394544
methyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoate
CID 103952281
2-methyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoic acid
CID 106416017
3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-sulfanylbutanamide
CID 106410052
N-(4-acetamidobutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110609819

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide?
The IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide (CID 130009449) is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide.
What is the SMILES notation for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide?
The canonical SMILES for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide is CC(=O)NC(C)Cc1noc(C)n1.
What is the InChIKey of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide?
The InChIKey is XOHYBJMWDOWNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5(9-6(2)12)4-8-10-7(3)13-11-8/h5H,4H2,1-3H3,(H,9,12).
What are the key properties of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide?
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide has a molecular weight of 183.21 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide is sourced from PubChem (CID 130009449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).