N-(3-methylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine

C21H19N5O — CID 23644889

IUPACN-(3-methylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cccc(Nc2nnc(-c3cccnc3CCc3ccncc3)o2)c1
InChIInChI=1S/C21H19N5O/c1-15-4-2-5-17(14-15)24-21-26-25-20(27-21)18-6-3-11-23-19(18)8-7-16-9-12-22-13-10-16/h2-6,9-14H,7-8H2,1H3,(H,24,26)
InChIKeySLLGSTXRWOLVGY-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.36
Rot. Bonds6

About N-(3-methylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine

N-(3-methylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine (PubChem CID 23644889) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-(3-methylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
PubChem CID23644889
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-(3-methylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cccc(Nc2nnc(-c3cccnc3CCc3ccncc3)o2)c1
InChIInChI=1S/C21H19N5O/c1-15-4-2-5-17(14-15)24-21-26-25-20(27-21)18-6-3-11-23-19(18)8-7-16-9-12-22-13-10-16/h2-6,9-14H,7-8H2,1H3,(H,24,26)
InChIKeySLLGSTXRWOLVGY-UHFFFAOYSA-N
XLogP4.36
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(3-methylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine (CID 23644889) is N-(3-methylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(3-methylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(3-methylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine is Cc1cccc(Nc2nnc(-c3cccnc3CCc3ccncc3)o2)c1.
What is the InChIKey of N-(3-methylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is SLLGSTXRWOLVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-15-4-2-5-17(14-15)24-21-26-25-20(27-21)18-6-3-11-23-19(18)8-7-16-9-12-22-13-10-16/h2-6,9-14H,7-8H2,1H3,(H,24,26).
What are the key properties of N-(3-methylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
N-(3-methylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 357.42 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 23644889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).