3-(4-methoxyphenyl)-4H-1,2,4-oxadiazol-5-one

C9H8N2O3 — CID 135476829

IUPAC3-(4-methoxyphenyl)-4H-1,2,4-oxadiazol-5-one
SMILESCOc1ccc(-c2noc(=O)[nH]2)cc1
InChIInChI=1S/C9H8N2O3/c1-13-7-4-2-6(3-5-7)8-10-9(12)14-11-8/h2-5H,1H3,(H,10,11,12)
InChIKeyXWAXHIDHWALRFG-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.04
Rot. Bonds2

About 3-(4-methoxyphenyl)-4H-1,2,4-oxadiazol-5-one

3-(4-methoxyphenyl)-4H-1,2,4-oxadiazol-5-one (PubChem CID 135476829) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4H-1,2,4-oxadiazol-5-one
PubChem CID135476829
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name3-(4-methoxyphenyl)-4H-1,2,4-oxadiazol-5-one
SMILESCOc1ccc(-c2noc(=O)[nH]2)cc1
InChIInChI=1S/C9H8N2O3/c1-13-7-4-2-6(3-5-7)8-10-9(12)14-11-8/h2-5H,1H3,(H,10,11,12)
InChIKeyXWAXHIDHWALRFG-UHFFFAOYSA-N
XLogP1.04
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-hydroxy-4-methoxybenzene-1-carboximidamide
CID 5360053
4-hexyloxy-N-hydroxybenzamidine
CID 5363804
4-Methoxybenzenecarboximidamide
CID 229074
3-{[4-(Tetradecyloxy)phenyl]methyl}-4,5-dihydro-1,2,4-oxadiazol-5-one
CID 135423043
3-(4-methoxyphenyl)-1-methyl-1H-1,2,4-triazol-5-ol
CID 135418922
3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-methoxyphenyl)-4-methyl-
CID 3075981
Anisamidoxime
CID 5374066
4-Methoxybenzamidine Hydrochloride
CID 12326219
3-[4-(3-decoxy-2-tetradecoxypropoxy)phenyl]-4H-1,2,4-oxadiazol-5-one
CID 135540866
3-[4-[3-(4-phenylbutoxy)-2-tetradecoxypropoxy]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 135540867
4-(2-Fluoro-benzyl)-3-(4-methoxy-phenyl)-4H-[1,2,4]oxadiazol-5-one
CID 3228081
p-Methoxybenzamidoxime
CID 21471

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-(4-methoxyphenyl)-4H-1,2,4-oxadiazol-5-one (CID 135476829) is 3-(4-methoxyphenyl)-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-(4-methoxyphenyl)-4H-1,2,4-oxadiazol-5-one is COc1ccc(-c2noc(=O)[nH]2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4H-1,2,4-oxadiazol-5-one?
The InChIKey is XWAXHIDHWALRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-13-7-4-2-6(3-5-7)8-10-9(12)14-11-8/h2-5H,1H3,(H,10,11,12).
What are the key properties of 3-(4-methoxyphenyl)-4H-1,2,4-oxadiazol-5-one?
3-(4-methoxyphenyl)-4H-1,2,4-oxadiazol-5-one has a molecular weight of 192.17 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135476829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).