N-(1,2,4-oxadiazol-3-ylmethyl)acetamide

C5H7N3O2 — CID 23395429

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)acetamide
SMILESCC(=O)NCc1ncon1
InChIInChI=1S/C5H7N3O2/c1-4(9)6-2-5-7-3-10-8-5/h3H,2H2,1H3,(H,6,9)
InChIKeyZQTDHBIONWTJFA-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.29
Rot. Bonds2

About N-(1,2,4-oxadiazol-3-ylmethyl)acetamide

N-(1,2,4-oxadiazol-3-ylmethyl)acetamide (PubChem CID 23395429) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)acetamide
PubChem CID23395429
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)acetamide
SMILESCC(=O)NCc1ncon1
InChIInChI=1S/C5H7N3O2/c1-4(9)6-2-5-7-3-10-8-5/h3H,2H2,1H3,(H,6,9)
InChIKeyZQTDHBIONWTJFA-UHFFFAOYSA-N
XLogP-0.29
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1,2,4-oxadiazol-3-yl)methanamine
CID 33728341
Methyl[(1,2,4-oxadiazol-3-yl)methyl]amine hydrochloride
CID 71758163
(1,2,4-Oxadiazol-3-yl)methanamine
CID 18939038
3-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 139220614
N-(1,2,4-oxadiazol-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 106396923
2-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106398666
3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine
CID 106398697
2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106398723
2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106399000
2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 106399240
2,2,3,3-tetrafluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106409869
2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
CID 106409871

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)acetamide?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)acetamide (CID 23395429) is N-(1,2,4-oxadiazol-3-ylmethyl)acetamide.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)acetamide?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)acetamide is CC(=O)NCc1ncon1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)acetamide?
The InChIKey is ZQTDHBIONWTJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-4(9)6-2-5-7-3-10-8-5/h3H,2H2,1H3,(H,6,9).
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)acetamide?
N-(1,2,4-oxadiazol-3-ylmethyl)acetamide has a molecular weight of 141.13 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)acetamide is sourced from PubChem (CID 23395429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).