2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine

C12H15N3O2 — CID 55044345

IUPAC2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
SMILESCNCCc1nnc(-c2ccc(OC)cc2)o1
InChIInChI=1S/C12H15N3O2/c1-13-8-7-11-14-15-12(17-11)9-3-5-10(16-2)6-4-9/h3-6,13H,7-8H2,1-2H3
InChIKeyHTXMLLNRUQPYHM-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.51
Rot. Bonds5

About 2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine

2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine (PubChem CID 55044345) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
PubChem CID55044345
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
SMILESCNCCc1nnc(-c2ccc(OC)cc2)o1
InChIInChI=1S/C12H15N3O2/c1-13-8-7-11-14-15-12(17-11)9-3-5-10(16-2)6-4-9/h3-6,13H,7-8H2,1-2H3
InChIKeyHTXMLLNRUQPYHM-UHFFFAOYSA-N
XLogP1.51
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55043972
2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 43513285
2-(4-methoxyphenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 110653679
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanol
CID 3041371
2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 67274190
4-tert-butyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321928
N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110321992
N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylbenzenesulfonamide
CID 110321999
4-ethyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
CID 110321983
N-butyl-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335010
N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenoxypropanamide
CID 110321939
N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyridine-3-carboxamide
CID 110321949

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine (CID 55044345) is 2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine is CNCCc1nnc(-c2ccc(OC)cc2)o1.
What is the InChIKey of 2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The InChIKey is HTXMLLNRUQPYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-13-8-7-11-14-15-12(17-11)9-3-5-10(16-2)6-4-9/h3-6,13H,7-8H2,1-2H3.
What are the key properties of 2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine has a molecular weight of 233.27 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 55044345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).