N-(4-tert-butylphenyl)-5-[2-(2-pyridin-4-ylethyl)quinolin-3-yl]-1,3,4-oxadiazol-2-amine

C28H27N5O — CID 23644876

IUPACN-(4-tert-butylphenyl)-5-[2-(2-pyridin-4-ylethyl)quinolin-3-yl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)c1ccc(Nc2nnc(-c3cc4ccccc4nc3CCc3ccncc3)o2)cc1
InChIInChI=1S/C28H27N5O/c1-28(2,3)21-9-11-22(12-10-21)30-27-33-32-26(34-27)23-18-20-6-4-5-7-24(20)31-25(23)13-8-19-14-16-29-17-15-19/h4-7,9-12,14-18H,8,13H2,1-3H3,(H,30,33)
InChIKeySEUSNLQOSNVICG-UHFFFAOYSA-N
MW449.56 g/mol
LogP6.51
Rot. Bonds6

About N-(4-tert-butylphenyl)-5-[2-(2-pyridin-4-ylethyl)quinolin-3-yl]-1,3,4-oxadiazol-2-amine

N-(4-tert-butylphenyl)-5-[2-(2-pyridin-4-ylethyl)quinolin-3-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 23644876) has the molecular formula C28H27N5O and a molecular weight of 449.56 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-[2-(2-pyridin-4-ylethyl)quinolin-3-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5-[2-(2-pyridin-4-ylethyl)quinolin-3-yl]-1,3,4-oxadiazol-2-amine
PubChem CID23644876
Molecular FormulaC28H27N5O
Molecular Weight449.56 g/mol
Exact Mass449.22
IUPAC NameN-(4-tert-butylphenyl)-5-[2-(2-pyridin-4-ylethyl)quinolin-3-yl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)c1ccc(Nc2nnc(-c3cc4ccccc4nc3CCc3ccncc3)o2)cc1
InChIInChI=1S/C28H27N5O/c1-28(2,3)21-9-11-22(12-10-21)30-27-33-32-26(34-27)23-18-20-6-4-5-7-24(20)31-25(23)13-8-19-14-16-29-17-15-19/h4-7,9-12,14-18H,8,13H2,1-3H3,(H,30,33)
InChIKeySEUSNLQOSNVICG-UHFFFAOYSA-N
XLogP6.51
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.56
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-tert-butylphenyl)-5-[2-(2-pyridin-4-ylethyl)quinolin-3-yl]-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5-[2-(2-pyridin-4-ylethyl)quinolin-3-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-5-[2-(2-pyridin-4-ylethyl)quinolin-3-yl]-1,3,4-oxadiazol-2-amine (CID 23644876) is N-(4-tert-butylphenyl)-5-[2-(2-pyridin-4-ylethyl)quinolin-3-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-5-[2-(2-pyridin-4-ylethyl)quinolin-3-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-5-[2-(2-pyridin-4-ylethyl)quinolin-3-yl]-1,3,4-oxadiazol-2-amine is CC(C)(C)c1ccc(Nc2nnc(-c3cc4ccccc4nc3CCc3ccncc3)o2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-5-[2-(2-pyridin-4-ylethyl)quinolin-3-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is SEUSNLQOSNVICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O/c1-28(2,3)21-9-11-22(12-10-21)30-27-33-32-26(34-27)23-18-20-6-4-5-7-24(20)31-25(23)13-8-19-14-16-29-17-15-19/h4-7,9-12,14-18H,8,13H2,1-3H3,(H,30,33).
What are the key properties of N-(4-tert-butylphenyl)-5-[2-(2-pyridin-4-ylethyl)quinolin-3-yl]-1,3,4-oxadiazol-2-amine?
N-(4-tert-butylphenyl)-5-[2-(2-pyridin-4-ylethyl)quinolin-3-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 449.56 g/mol, XLogP of 6.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-5-[2-(2-pyridin-4-ylethyl)quinolin-3-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 23644876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).