1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine

C20H23N3O2 — CID 47053626

IUPAC1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine
SMILESCOc1ccc2cc(CN(C)C(C)c3nc(C4CC4)no3)ccc2c1
InChIInChI=1S/C20H23N3O2/c1-13(20-21-19(22-25-20)15-6-7-15)23(2)12-14-4-5-17-11-18(24-3)9-8-16(17)10-14/h4-5,8-11,13,15H,6-7,12H2,1-3H3
InChIKeyPQTPFLWWVKQXBK-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.30
Rot. Bonds6

About 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine

1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine (PubChem CID 47053626) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine
PubChem CID47053626
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine
SMILESCOc1ccc2cc(CN(C)C(C)c3nc(C4CC4)no3)ccc2c1
InChIInChI=1S/C20H23N3O2/c1-13(20-21-19(22-25-20)15-6-7-15)23(2)12-14-4-5-17-11-18(24-3)9-8-16(17)10-14/h4-5,8-11,13,15H,6-7,12H2,1-3H3
InChIKeyPQTPFLWWVKQXBK-UHFFFAOYSA-N
XLogP4.30
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine?
The IUPAC name of 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine (CID 47053626) is 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine.
What is the SMILES notation for 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine?
The canonical SMILES for 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine is COc1ccc2cc(CN(C)C(C)c3nc(C4CC4)no3)ccc2c1.
What is the InChIKey of 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine?
The InChIKey is PQTPFLWWVKQXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13(20-21-19(22-25-20)15-6-7-15)23(2)12-14-4-5-17-11-18(24-3)9-8-16(17)10-14/h4-5,8-11,13,15H,6-7,12H2,1-3H3.
What are the key properties of 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine?
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine has a molecular weight of 337.42 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 47053626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).