3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole

C10H10N2O2 — CID 59009688

IUPAC3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole
SMILESCOCc1noc(-c2ccccc2)n1
InChIInChI=1S/C10H10N2O2/c1-13-7-9-11-10(14-12-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyGUDYXQFZIMAQHQ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.88
Rot. Bonds3

About 3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole

3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole (PubChem CID 59009688) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole
PubChem CID59009688
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole
SMILESCOCc1noc(-c2ccccc2)n1
InChIInChI=1S/C10H10N2O2/c1-13-7-9-11-10(14-12-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyGUDYXQFZIMAQHQ-UHFFFAOYSA-N
XLogP1.88
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 42692255
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
3-[(2,6-dichlorophenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 78848420
5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692252
3-[(3-methylphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 23205015
2-fluoro-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63188189
5-(4-chloro-3-fluorophenyl)-3-(methoxymethyl)-1,2,4-oxadiazole
CID 84593426
[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 106484747
1-[3-methoxy-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanone
CID 86992137
(5-phenyl-1,2,4-oxadiazol-3-yl)methanesulfinic acid
CID 59944372
5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136683214
3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844357

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole (CID 59009688) is 3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole is COCc1noc(-c2ccccc2)n1.
What is the InChIKey of 3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole?
The InChIKey is GUDYXQFZIMAQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-13-7-9-11-10(14-12-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of 3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole?
3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole has a molecular weight of 190.20 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 59009688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).