(1R)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine

C18H24N6O — CID 94176753

IUPAC(1R)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
SMILESC[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1noc(C(C)(C)C)n1
InChIInChI=1S/C18H24N6O/c1-13(14-6-8-15(9-7-14)24-12-19-11-20-24)23(5)10-16-21-17(25-22-16)18(2,3)4/h6-9,11-13H,10H2,1-5H3/t13-/m1/s1
InChIKeyAETJLFBRXASFSY-CYBMUJFWSA-N
MW340.43 g/mol
LogP3.14
Rot. Bonds5

About (1R)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine

(1R)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine (PubChem CID 94176753) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is (1R)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
PubChem CID94176753
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name(1R)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
SMILESC[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1noc(C(C)(C)C)n1
InChIInChI=1S/C18H24N6O/c1-13(14-6-8-15(9-7-14)24-12-19-11-20-24)23(5)10-16-21-17(25-22-16)18(2,3)4/h6-9,11-13H,10H2,1-5H3/t13-/m1/s1
InChIKeyAETJLFBRXASFSY-CYBMUJFWSA-N
XLogP3.14
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine?
The IUPAC name of (1R)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine (CID 94176753) is (1R)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine is C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1noc(C(C)(C)C)n1.
What is the InChIKey of (1R)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine?
The InChIKey is AETJLFBRXASFSY-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N6O/c1-13(14-6-8-15(9-7-14)24-12-19-11-20-24)23(5)10-16-21-17(25-22-16)18(2,3)4/h6-9,11-13H,10H2,1-5H3/t13-/m1/s1.
What are the key properties of (1R)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine?
(1R)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine has a molecular weight of 340.43 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 94176753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).