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

C14H13N5O — CID 115528982

IUPAC1-phenyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESNC(Cc1nc(-c2ccncn2)no1)c1ccccc1
InChIInChI=1S/C14H13N5O/c15-11(10-4-2-1-3-5-10)8-13-18-14(19-20-13)12-6-7-16-9-17-12/h1-7,9,11H,8,15H2
InChIKeyWHWYVVJOLMRNIX-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.77
Rot. Bonds4

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

1-phenyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 115528982) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-phenyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-phenyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID115528982
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name1-phenyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESNC(Cc1nc(-c2ccncn2)no1)c1ccccc1
InChIInChI=1S/C14H13N5O/c15-11(10-4-2-1-3-5-10)8-13-18-14(19-20-13)12-6-7-16-9-17-12/h1-7,9,11H,8,15H2
InChIKeyWHWYVVJOLMRNIX-UHFFFAOYSA-N
XLogP1.77
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 63840491
2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 114876703
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 43102262
(2S)-2-amino-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915904
1-phenyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 62551888
1-phenyl-2-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43627790
2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine
CID 115531419
3-methyl-1-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 115531354
5-(2,2-diphenylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 752713
4-methyl-1-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 115531350
2-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetonitrile
CID 106526421
2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 115528681

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of 1-phenyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine (CID 115528982) is 1-phenyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for 1-phenyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for 1-phenyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine is NC(Cc1nc(-c2ccncn2)no1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is WHWYVVJOLMRNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c15-11(10-4-2-1-3-5-10)8-13-18-14(19-20-13)12-6-7-16-9-17-12/h1-7,9,11H,8,15H2.
What are the key properties of 1-phenyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine?
1-phenyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 267.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 115528982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).