1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(naphthalen-2-ylmethyl)ethanamine

C20H25N3O — CID 43049437

IUPAC1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(naphthalen-2-ylmethyl)ethanamine
SMILESCC(c1nc(C(C)(C)C)no1)N(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C20H25N3O/c1-14(18-21-19(22-24-18)20(2,3)4)23(5)13-15-10-11-16-8-6-7-9-17(16)12-15/h6-12,14H,13H2,1-5H3
InChIKeyOQTXXBNURLMDGO-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.71
Rot. Bonds4

About 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(naphthalen-2-ylmethyl)ethanamine

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(naphthalen-2-ylmethyl)ethanamine (PubChem CID 43049437) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(naphthalen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(naphthalen-2-ylmethyl)ethanamine
PubChem CID43049437
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(naphthalen-2-ylmethyl)ethanamine
SMILESCC(c1nc(C(C)(C)C)no1)N(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C20H25N3O/c1-14(18-21-19(22-24-18)20(2,3)4)23(5)13-15-10-11-16-8-6-7-9-17(16)12-15/h6-12,14H,13H2,1-5H3
InChIKeyOQTXXBNURLMDGO-UHFFFAOYSA-N
XLogP4.71
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(naphthalen-2-ylmethyl)ethanamine?
The IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(naphthalen-2-ylmethyl)ethanamine (CID 43049437) is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(naphthalen-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(naphthalen-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(naphthalen-2-ylmethyl)ethanamine is CC(c1nc(C(C)(C)C)no1)N(C)Cc1ccc2ccccc2c1.
What is the InChIKey of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(naphthalen-2-ylmethyl)ethanamine?
The InChIKey is OQTXXBNURLMDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-14(18-21-19(22-24-18)20(2,3)4)23(5)13-15-10-11-16-8-6-7-9-17(16)12-15/h6-12,14H,13H2,1-5H3.
What are the key properties of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(naphthalen-2-ylmethyl)ethanamine?
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(naphthalen-2-ylmethyl)ethanamine has a molecular weight of 323.44 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(naphthalen-2-ylmethyl)ethanamine is sourced from PubChem (CID 43049437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).