4-methyl-N-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline

C15H15N5O — CID 115528705

IUPAC4-methyl-N-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
SMILESCc1ccc(NCCc2nc(-c3ccncn3)no2)cc1
InChIInChI=1S/C15H15N5O/c1-11-2-4-12(5-3-11)17-9-7-14-19-15(20-21-14)13-6-8-16-10-18-13/h2-6,8,10,17H,7,9H2,1H3
InChIKeyGFTNFDHYJDGIIH-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.49
Rot. Bonds5

About 4-methyl-N-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline

4-methyl-N-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline (PubChem CID 115528705) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-methyl-N-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
PubChem CID115528705
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name4-methyl-N-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
SMILESCc1ccc(NCCc2nc(-c3ccncn3)no2)cc1
InChIInChI=1S/C15H15N5O/c1-11-2-4-12(5-3-11)17-9-7-14-19-15(20-21-14)13-6-8-16-10-18-13/h2-6,8,10,17H,7,9H2,1H3
InChIKeyGFTNFDHYJDGIIH-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(4-methylanilino)ethyl]-1,2,4-oxadiazol-3-amine
CID 65416617
N-propyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 115531438
4-methyl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 60836264
N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698928
4-methyl-N-[2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 79954373
4-methyl-N-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 54924497
3-methyl-1-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 115531354
N-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 79704099
4-pyridin-4-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine
CID 72933357
4-methyl-1-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 115531350
N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]ethanesulfonamide
CID 110323882
1-phenyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 115528982

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline?
The IUPAC name of 4-methyl-N-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline (CID 115528705) is 4-methyl-N-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 4-methyl-N-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline?
The canonical SMILES for 4-methyl-N-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline is Cc1ccc(NCCc2nc(-c3ccncn3)no2)cc1.
What is the InChIKey of 4-methyl-N-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline?
The InChIKey is GFTNFDHYJDGIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-11-2-4-12(5-3-11)17-9-7-14-19-15(20-21-14)13-6-8-16-10-18-13/h2-6,8,10,17H,7,9H2,1H3.
What are the key properties of 4-methyl-N-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline?
4-methyl-N-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline has a molecular weight of 281.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 115528705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).