N-methyl-1-[(3R)-3-phenyl-2-propyl-3H-1,2,4-oxadiazol-5-yl]methanamine

C13H19N3O — CID 125478850

IUPACN-methyl-1-[(3R)-3-phenyl-2-propyl-3H-1,2,4-oxadiazol-5-yl]methanamine
SMILESCCCN1OC(CNC)=N[C@H]1c1ccccc1
InChIInChI=1S/C13H19N3O/c1-3-9-16-13(11-7-5-4-6-8-11)15-12(17-16)10-14-2/h4-8,13-14H,3,9-10H2,1-2H3/t13-/m1/s1
InChIKeyKSZYDNODVXGPSV-CYBMUJFWSA-N
MW233.31 g/mol
LogP1.96
Rot. Bonds5

About N-methyl-1-[(3R)-3-phenyl-2-propyl-3H-1,2,4-oxadiazol-5-yl]methanamine

N-methyl-1-[(3R)-3-phenyl-2-propyl-3H-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 125478850) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-methyl-1-[(3R)-3-phenyl-2-propyl-3H-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(3R)-3-phenyl-2-propyl-3H-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID125478850
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-methyl-1-[(3R)-3-phenyl-2-propyl-3H-1,2,4-oxadiazol-5-yl]methanamine
SMILESCCCN1OC(CNC)=N[C@H]1c1ccccc1
InChIInChI=1S/C13H19N3O/c1-3-9-16-13(11-7-5-4-6-8-11)15-12(17-16)10-14-2/h4-8,13-14H,3,9-10H2,1-2H3/t13-/m1/s1
InChIKeyKSZYDNODVXGPSV-CYBMUJFWSA-N
XLogP1.96
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3R)-3-phenyl-2-propyl-3H-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[(3R)-3-phenyl-2-propyl-3H-1,2,4-oxadiazol-5-yl]methanamine (CID 125478850) is N-methyl-1-[(3R)-3-phenyl-2-propyl-3H-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(3R)-3-phenyl-2-propyl-3H-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[(3R)-3-phenyl-2-propyl-3H-1,2,4-oxadiazol-5-yl]methanamine is CCCN1OC(CNC)=N[C@H]1c1ccccc1.
What is the InChIKey of N-methyl-1-[(3R)-3-phenyl-2-propyl-3H-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is KSZYDNODVXGPSV-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-9-16-13(11-7-5-4-6-8-11)15-12(17-16)10-14-2/h4-8,13-14H,3,9-10H2,1-2H3/t13-/m1/s1.
What are the key properties of N-methyl-1-[(3R)-3-phenyl-2-propyl-3H-1,2,4-oxadiazol-5-yl]methanamine?
N-methyl-1-[(3R)-3-phenyl-2-propyl-3H-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 233.31 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3R)-3-phenyl-2-propyl-3H-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 125478850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).