1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanamine

C14H19N3O — CID 62488541

IUPAC1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanamine
SMILESCC(C)(C)c1noc(C(C)(N)c2ccccc2)n1
InChIInChI=1S/C14H19N3O/c1-13(2,3)11-16-12(18-17-11)14(4,15)10-8-6-5-7-9-10/h5-9H,15H2,1-4H3
InChIKeyKNNQGWGNRFRZOE-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.59
Rot. Bonds2

About 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanamine

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanamine (PubChem CID 62488541) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanamine.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanamine
PubChem CID62488541
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanamine
SMILESCC(C)(C)c1noc(C(C)(N)c2ccccc2)n1
InChIInChI=1S/C14H19N3O/c1-13(2,3)11-16-12(18-17-11)14(4,15)10-8-6-5-7-9-10/h5-9H,15H2,1-4H3
InChIKeyKNNQGWGNRFRZOE-UHFFFAOYSA-N
XLogP2.59
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
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)-1-phenylethanamine?
The IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanamine (CID 62488541) is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanamine.
What is the SMILES notation for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanamine?
The canonical SMILES for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanamine is CC(C)(C)c1noc(C(C)(N)c2ccccc2)n1.
What is the InChIKey of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanamine?
The InChIKey is KNNQGWGNRFRZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-13(2,3)11-16-12(18-17-11)14(4,15)10-8-6-5-7-9-10/h5-9H,15H2,1-4H3.
What are the key properties of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanamine?
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 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)-1-phenylethanamine is sourced from PubChem (CID 62488541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).