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

C23H23N5O — CID 15949471

IUPACN-(4-propan-2-ylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)c1ccc(Nc2nnc(-c3cccnc3CCc3ccncc3)o2)cc1
InChIInChI=1S/C23H23N5O/c1-16(2)18-6-8-19(9-7-18)26-23-28-27-22(29-23)20-4-3-13-25-21(20)10-5-17-11-14-24-15-12-17/h3-4,6-9,11-16H,5,10H2,1-2H3,(H,26,28)
InChIKeyZNQQUMQUMMSXHR-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.18
Rot. Bonds7

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

N-(4-propan-2-ylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine (PubChem CID 15949471) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
PubChem CID15949471
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC NameN-(4-propan-2-ylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)c1ccc(Nc2nnc(-c3cccnc3CCc3ccncc3)o2)cc1
InChIInChI=1S/C23H23N5O/c1-16(2)18-6-8-19(9-7-18)26-23-28-27-22(29-23)20-4-3-13-25-21(20)10-5-17-11-14-24-15-12-17/h3-4,6-9,11-16H,5,10H2,1-2H3,(H,26,28)
InChIKeyZNQQUMQUMMSXHR-UHFFFAOYSA-N
XLogP5.18
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(4-propan-2-ylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine (CID 15949471) is N-(4-propan-2-ylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(4-propan-2-ylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine is CC(C)c1ccc(Nc2nnc(-c3cccnc3CCc3ccncc3)o2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is ZNQQUMQUMMSXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-16(2)18-6-8-19(9-7-18)26-23-28-27-22(29-23)20-4-3-13-25-21(20)10-5-17-11-14-24-15-12-17/h3-4,6-9,11-16H,5,10H2,1-2H3,(H,26,28).
What are the key properties of N-(4-propan-2-ylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
N-(4-propan-2-ylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 385.47 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 15949471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).