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

C21H19N5O — CID 23644892

IUPACN-(2-methylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccccc1Nc1nnc(-c2cccnc2CCc2ccncc2)o1
InChIInChI=1S/C21H19N5O/c1-15-5-2-3-7-18(15)24-21-26-25-20(27-21)17-6-4-12-23-19(17)9-8-16-10-13-22-14-11-16/h2-7,10-14H,8-9H2,1H3,(H,24,26)
InChIKeyRKPFZJBDSHJADW-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.36
Rot. Bonds6

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

N-(2-methylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine (PubChem CID 23644892) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-(2-methylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
PubChem CID23644892
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-(2-methylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccccc1Nc1nnc(-c2cccnc2CCc2ccncc2)o1
InChIInChI=1S/C21H19N5O/c1-15-5-2-3-7-18(15)24-21-26-25-20(27-21)17-6-4-12-23-19(17)9-8-16-10-13-22-14-11-16/h2-7,10-14H,8-9H2,1H3,(H,24,26)
InChIKeyRKPFZJBDSHJADW-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-(2-methylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2-methylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine (CID 23644892) is N-(2-methylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2-methylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2-methylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine is Cc1ccccc1Nc1nnc(-c2cccnc2CCc2ccncc2)o1.
What is the InChIKey of N-(2-methylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is RKPFZJBDSHJADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-15-5-2-3-7-18(15)24-21-26-25-20(27-21)17-6-4-12-23-19(17)9-8-16-10-13-22-14-11-16/h2-7,10-14H,8-9H2,1H3,(H,24,26).
What are the key properties of N-(2-methylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
N-(2-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-(2-methylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 23644892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).