3-methyl-5-(2-phenylethoxy)-1,2,4-oxadiazole

C11H12N2O2 — CID 56783323

IUPAC3-methyl-5-(2-phenylethoxy)-1,2,4-oxadiazole
SMILESCc1noc(OCCc2ccccc2)n1
InChIInChI=1S/C11H12N2O2/c1-9-12-11(15-13-9)14-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKeyCFWVRURASQAVTB-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.00
Rot. Bonds4

About 3-methyl-5-(2-phenylethoxy)-1,2,4-oxadiazole

3-methyl-5-(2-phenylethoxy)-1,2,4-oxadiazole (PubChem CID 56783323) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-methyl-5-(2-phenylethoxy)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(2-phenylethoxy)-1,2,4-oxadiazole
PubChem CID56783323
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-methyl-5-(2-phenylethoxy)-1,2,4-oxadiazole
SMILESCc1noc(OCCc2ccccc2)n1
InChIInChI=1S/C11H12N2O2/c1-9-12-11(15-13-9)14-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKeyCFWVRURASQAVTB-UHFFFAOYSA-N
XLogP2.00
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride
CID 174678575
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
butane;1-(2-phenylethoxy)-4-propylbenzene
CID 142957775
(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine
CID 104983433
5-[4-(2-phenylethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 54846814
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 54931052
1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene
CID 130400104
trimethyl(2-phenylethylperoxy)silane
CID 57150675
1-[4-(2-phenylethoxy)phenyl]ethanamine
CID 16785512
3-methyl-5-(3-phenylpropylsulfonylmethyl)-1,2,4-oxadiazole
CID 126804224
2-methoxyethylbenzene
CID 19089

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-phenylethoxy)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(2-phenylethoxy)-1,2,4-oxadiazole (CID 56783323) is 3-methyl-5-(2-phenylethoxy)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(2-phenylethoxy)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(2-phenylethoxy)-1,2,4-oxadiazole is Cc1noc(OCCc2ccccc2)n1.
What is the InChIKey of 3-methyl-5-(2-phenylethoxy)-1,2,4-oxadiazole?
The InChIKey is CFWVRURASQAVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-9-12-11(15-13-9)14-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3.
What are the key properties of 3-methyl-5-(2-phenylethoxy)-1,2,4-oxadiazole?
3-methyl-5-(2-phenylethoxy)-1,2,4-oxadiazole has a molecular weight of 204.23 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-phenylethoxy)-1,2,4-oxadiazole is sourced from PubChem (CID 56783323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).