3-ethyl-4-[5-[(3-methoxyphenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol

C19H21N3O3 — CID 135862891

IUPAC3-ethyl-4-[5-[(3-methoxyphenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol
SMILESCCc1c(-c2nnc(NCc3cccc(OC)c3)o2)ccc(O)c1C
InChIInChI=1S/C19H21N3O3/c1-4-15-12(2)17(23)9-8-16(15)18-21-22-19(25-18)20-11-13-6-5-7-14(10-13)24-3/h5-10,23H,4,11H2,1-3H3,(H,20,22)
InChIKeyAUELMIDTDSVUAS-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.93
Rot. Bonds6

About 3-ethyl-4-[5-[(3-methoxyphenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol

3-ethyl-4-[5-[(3-methoxyphenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol (PubChem CID 135862891) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-ethyl-4-[5-[(3-methoxyphenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol.

Molecular Properties

Compound Name3-ethyl-4-[5-[(3-methoxyphenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol
PubChem CID135862891
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-ethyl-4-[5-[(3-methoxyphenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol
SMILESCCc1c(-c2nnc(NCc3cccc(OC)c3)o2)ccc(O)c1C
InChIInChI=1S/C19H21N3O3/c1-4-15-12(2)17(23)9-8-16(15)18-21-22-19(25-18)20-11-13-6-5-7-14(10-13)24-3/h5-10,23H,4,11H2,1-3H3,(H,20,22)
InChIKeyAUELMIDTDSVUAS-UHFFFAOYSA-N
XLogP3.93
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[5-[(3-methoxyphenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol?
The IUPAC name of 3-ethyl-4-[5-[(3-methoxyphenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol (CID 135862891) is 3-ethyl-4-[5-[(3-methoxyphenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol.
What is the SMILES notation for 3-ethyl-4-[5-[(3-methoxyphenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol?
The canonical SMILES for 3-ethyl-4-[5-[(3-methoxyphenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol is CCc1c(-c2nnc(NCc3cccc(OC)c3)o2)ccc(O)c1C.
What is the InChIKey of 3-ethyl-4-[5-[(3-methoxyphenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol?
The InChIKey is AUELMIDTDSVUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-4-15-12(2)17(23)9-8-16(15)18-21-22-19(25-18)20-11-13-6-5-7-14(10-13)24-3/h5-10,23H,4,11H2,1-3H3,(H,20,22).
What are the key properties of 3-ethyl-4-[5-[(3-methoxyphenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol?
3-ethyl-4-[5-[(3-methoxyphenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol has a molecular weight of 339.40 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[5-[(3-methoxyphenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol is sourced from PubChem (CID 135862891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).