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

C10H10N2O3 — CID 135519502

IUPAC3-(4-ethoxyphenyl)-4H-1,2,4-oxadiazol-5-one
SMILESCCOc1ccc(-c2noc(=O)[nH]2)cc1
InChIInChI=1S/C10H10N2O3/c1-2-14-8-5-3-7(4-6-8)9-11-10(13)15-12-9/h3-6H,2H2,1H3,(H,11,12,13)
InChIKeyMZNVNPKSTAHNAK-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.43
Rot. Bonds3

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

3-(4-ethoxyphenyl)-4H-1,2,4-oxadiazol-5-one (PubChem CID 135519502) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-4H-1,2,4-oxadiazol-5-one
PubChem CID135519502
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name3-(4-ethoxyphenyl)-4H-1,2,4-oxadiazol-5-one
SMILESCCOc1ccc(-c2noc(=O)[nH]2)cc1
InChIInChI=1S/C10H10N2O3/c1-2-14-8-5-3-7(4-6-8)9-11-10(13)15-12-9/h3-6H,2H2,1H3,(H,11,12,13)
InChIKeyMZNVNPKSTAHNAK-UHFFFAOYSA-N
XLogP1.43
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.43
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
3-{[4-(Tetradecyloxy)phenyl]methyl}-4,5-dihydro-1,2,4-oxadiazol-5-one
CID 135423043
propan-2-one O-4-butoxybenzylcarbamoyl oxime
CID 20872815
Benzamidine, p-butoxy-, monohydrochloride
CID 3015453
Anisamidoxime
CID 5374066
N'-hydroxy-4-phenylmethoxybenzenecarboximidamide
CID 2797654
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
3-[4-(3-benzhydryloxy-2-tetradecoxypropoxy)phenyl]-4H-1,2,4-oxadiazol-5-one
CID 135540870
p-Methoxybenzamidoxime
CID 21471
4-hexoxy-N'-hydroxybenzenecarboximidamide
CID 539561

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-(4-ethoxyphenyl)-4H-1,2,4-oxadiazol-5-one (CID 135519502) is 3-(4-ethoxyphenyl)-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-(4-ethoxyphenyl)-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-(4-ethoxyphenyl)-4H-1,2,4-oxadiazol-5-one is CCOc1ccc(-c2noc(=O)[nH]2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-4H-1,2,4-oxadiazol-5-one?
The InChIKey is MZNVNPKSTAHNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-2-14-8-5-3-7(4-6-8)9-11-10(13)15-12-9/h3-6H,2H2,1H3,(H,11,12,13).
What are the key properties of 3-(4-ethoxyphenyl)-4H-1,2,4-oxadiazol-5-one?
3-(4-ethoxyphenyl)-4H-1,2,4-oxadiazol-5-one has a molecular weight of 206.20 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135519502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).