[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]-(4-methylphenyl)methanamine

C19H21N3O3 — CID 120838934

IUPAC[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]-(4-methylphenyl)methanamine
SMILESCOc1cccc(COCc2noc(C(N)c3ccc(C)cc3)n2)c1
InChIInChI=1S/C19H21N3O3/c1-13-6-8-15(9-7-13)18(20)19-21-17(22-25-19)12-24-11-14-4-3-5-16(10-14)23-2/h3-10,18H,11-12,20H2,1-2H3
InChIKeyJGIRCKZBCZSAAE-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.15
Rot. Bonds7

About [3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]-(4-methylphenyl)methanamine

[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]-(4-methylphenyl)methanamine (PubChem CID 120838934) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is [3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]-(4-methylphenyl)methanamine
PubChem CID120838934
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]-(4-methylphenyl)methanamine
SMILESCOc1cccc(COCc2noc(C(N)c3ccc(C)cc3)n2)c1
InChIInChI=1S/C19H21N3O3/c1-13-6-8-15(9-7-13)18(20)19-21-17(22-25-19)12-24-11-14-4-3-5-16(10-14)23-2/h3-10,18H,11-12,20H2,1-2H3
InChIKeyJGIRCKZBCZSAAE-UHFFFAOYSA-N
XLogP3.15
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]-(4-methylphenyl)methanamine?
The IUPAC name of [3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]-(4-methylphenyl)methanamine (CID 120838934) is [3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]-(4-methylphenyl)methanamine.
What is the SMILES notation for [3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]-(4-methylphenyl)methanamine?
The canonical SMILES for [3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]-(4-methylphenyl)methanamine is COc1cccc(COCc2noc(C(N)c3ccc(C)cc3)n2)c1.
What is the InChIKey of [3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]-(4-methylphenyl)methanamine?
The InChIKey is JGIRCKZBCZSAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-6-8-15(9-7-13)18(20)19-21-17(22-25-19)12-24-11-14-4-3-5-16(10-14)23-2/h3-10,18H,11-12,20H2,1-2H3.
What are the key properties of [3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]-(4-methylphenyl)methanamine?
[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]-(4-methylphenyl)methanamine has a molecular weight of 339.40 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]-(4-methylphenyl)methanamine is sourced from PubChem (CID 120838934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).