3-ethyl-5-phenyl-1,2,4-oxadiazole

C10H10N2O — CID 20678688

IUPAC3-ethyl-5-phenyl-1,2,4-oxadiazole
SMILESCCc1noc(-c2ccccc2)n1
InChIInChI=1S/C10H10N2O/c1-2-9-11-10(13-12-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyJUESKIQSLQZEHC-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.30
Rot. Bonds2

About 3-ethyl-5-phenyl-1,2,4-oxadiazole

3-ethyl-5-phenyl-1,2,4-oxadiazole (PubChem CID 20678688) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-ethyl-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-phenyl-1,2,4-oxadiazole
PubChem CID20678688
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3-ethyl-5-phenyl-1,2,4-oxadiazole
SMILESCCc1noc(-c2ccccc2)n1
InChIInChI=1S/C10H10N2O/c1-2-9-11-10(13-12-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyJUESKIQSLQZEHC-UHFFFAOYSA-N
XLogP2.30
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole
CID 59009688
4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 42553350
ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 143067916
3-[(2-ethylimidazol-1-yl)methyl]-5-phenyl-1,2,4-oxadiazole
CID 53193142
(5-phenyl-1,2,4-oxadiazol-3-yl)methanesulfinic acid
CID 59944372
3-benzyl-5-(4-propylphenyl)-1,2,4-oxadiazole
CID 3359504
3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 42692255
5-phenyl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 110169330
2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
CID 71279247
4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diol
CID 136904389
5-phenyl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 162656743
3-ethyl-5-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 91906883

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-phenyl-1,2,4-oxadiazole (CID 20678688) is 3-ethyl-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-phenyl-1,2,4-oxadiazole is CCc1noc(-c2ccccc2)n1.
What is the InChIKey of 3-ethyl-5-phenyl-1,2,4-oxadiazole?
The InChIKey is JUESKIQSLQZEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-2-9-11-10(13-12-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of 3-ethyl-5-phenyl-1,2,4-oxadiazole?
3-ethyl-5-phenyl-1,2,4-oxadiazole has a molecular weight of 174.20 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 20678688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).