N-methyl-1-phenyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine

C15H15N5O — CID 63349001

IUPACN-methyl-1-phenyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCNC(Cc1nc(-c2ncccn2)no1)c1ccccc1
InChIInChI=1S/C15H15N5O/c1-16-12(11-6-3-2-4-7-11)10-13-19-15(20-21-13)14-17-8-5-9-18-14/h2-9,12,16H,10H2,1H3
InChIKeyLLXMVYQZTACRQD-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.03
Rot. Bonds5

About N-methyl-1-phenyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine

N-methyl-1-phenyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 63349001) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-methyl-1-phenyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-phenyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID63349001
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-methyl-1-phenyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCNC(Cc1nc(-c2ncccn2)no1)c1ccccc1
InChIInChI=1S/C15H15N5O/c1-16-12(11-6-3-2-4-7-11)10-13-19-15(20-21-13)14-17-8-5-9-18-14/h2-9,12,16H,10H2,1H3
InChIKeyLLXMVYQZTACRQD-UHFFFAOYSA-N
XLogP2.03
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-methyl-1-phenyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine (CID 63349001) is N-methyl-1-phenyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-methyl-1-phenyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-methyl-1-phenyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine is CNC(Cc1nc(-c2ncccn2)no1)c1ccccc1.
What is the InChIKey of N-methyl-1-phenyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is LLXMVYQZTACRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-16-12(11-6-3-2-4-7-11)10-13-19-15(20-21-13)14-17-8-5-9-18-14/h2-9,12,16H,10H2,1H3.
What are the key properties of N-methyl-1-phenyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
N-methyl-1-phenyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 281.32 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 63349001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).