N-methyl-N-(2-phenylethyl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine

C16H23N3O — CID 51086780

IUPACN-methyl-N-(2-phenylethyl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC(C)c1noc(C(C)N(C)CCc2ccccc2)n1
InChIInChI=1S/C16H23N3O/c1-12(2)15-17-16(20-18-15)13(3)19(4)11-10-14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3
InChIKeyVMUQWUWXRFSVHX-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.43
Rot. Bonds6

About N-methyl-N-(2-phenylethyl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine

N-methyl-N-(2-phenylethyl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 51086780) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-methyl-N-(2-phenylethyl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-N-(2-phenylethyl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID51086780
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-methyl-N-(2-phenylethyl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC(C)c1noc(C(C)N(C)CCc2ccccc2)n1
InChIInChI=1S/C16H23N3O/c1-12(2)15-17-16(20-18-15)13(3)19(4)11-10-14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3
InChIKeyVMUQWUWXRFSVHX-UHFFFAOYSA-N
XLogP3.43
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylethyl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-methyl-N-(2-phenylethyl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine (CID 51086780) is N-methyl-N-(2-phenylethyl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-methyl-N-(2-phenylethyl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-methyl-N-(2-phenylethyl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine is CC(C)c1noc(C(C)N(C)CCc2ccccc2)n1.
What is the InChIKey of N-methyl-N-(2-phenylethyl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is VMUQWUWXRFSVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)15-17-16(20-18-15)13(3)19(4)11-10-14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3.
What are the key properties of N-methyl-N-(2-phenylethyl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
N-methyl-N-(2-phenylethyl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylethyl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 51086780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).