5-ethyl-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole

C12H14N2O2 — CID 3758799

IUPAC5-ethyl-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole
SMILESCCc1nc(Cc2ccc(OC)cc2)no1
InChIInChI=1S/C12H14N2O2/c1-3-12-13-11(14-16-12)8-9-4-6-10(15-2)7-5-9/h4-7H,3,8H2,1-2H3
InChIKeyRLSBBTJGQDGUGX-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.23
Rot. Bonds4

About 5-ethyl-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole

5-ethyl-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole (PubChem CID 3758799) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-ethyl-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole
PubChem CID3758799
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name5-ethyl-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole
SMILESCCc1nc(Cc2ccc(OC)cc2)no1
InChIInChI=1S/C12H14N2O2/c1-3-12-13-11(14-16-12)8-9-4-6-10(15-2)7-5-9/h4-7H,3,8H2,1-2H3
InChIKeyRLSBBTJGQDGUGX-UHFFFAOYSA-N
XLogP2.23
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole (CID 3758799) is 5-ethyl-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole is CCc1nc(Cc2ccc(OC)cc2)no1.
What is the InChIKey of 5-ethyl-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is RLSBBTJGQDGUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-12-13-11(14-16-12)8-9-4-6-10(15-2)7-5-9/h4-7H,3,8H2,1-2H3.
What are the key properties of 5-ethyl-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole?
5-ethyl-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 218.26 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 3758799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).