2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine

C15H15N5O — CID 115529371

IUPAC2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
SMILESCc1nccc(-c2noc(C(CN)c3ccccc3)n2)n1
InChIInChI=1S/C15H15N5O/c1-10-17-8-7-13(18-10)14-19-15(21-20-14)12(9-16)11-5-3-2-4-6-11/h2-8,12H,9,16H2,1H3
InChIKeyJPAZZBVSDZTLKQ-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.93
Rot. Bonds4

About 2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine

2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine (PubChem CID 115529371) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine.

Molecular Properties

Compound Name2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
PubChem CID115529371
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
SMILESCc1nccc(-c2noc(C(CN)c3ccccc3)n2)n1
InChIInChI=1S/C15H15N5O/c1-10-17-8-7-13(18-10)14-19-15(21-20-14)12(9-16)11-5-3-2-4-6-11/h2-8,12H,9,16H2,1H3
InChIKeyJPAZZBVSDZTLKQ-UHFFFAOYSA-N
XLogP1.93
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 115531552
2-methoxy-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109335
1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115529198
5-(2-amino-1-phenylethyl)-1,2,4-oxadiazol-3-amine
CID 65416623
2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 114877008
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 62884713
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 62884702
2-phenyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62884547
2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115529316
2-[[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 115529262
5-[(1R)-1-phenylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 803925
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 115531396

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The IUPAC name of 2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine (CID 115529371) is 2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine.
What is the SMILES notation for 2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The canonical SMILES for 2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine is Cc1nccc(-c2noc(C(CN)c3ccccc3)n2)n1.
What is the InChIKey of 2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The InChIKey is JPAZZBVSDZTLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10-17-8-7-13(18-10)14-19-15(21-20-14)12(9-16)11-5-3-2-4-6-11/h2-8,12H,9,16H2,1H3.
What are the key properties of 2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine has a molecular weight of 281.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine is sourced from PubChem (CID 115529371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).