N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-1,2,4-oxadiazol-3-amine

C23H22N4O2 — CID 59129016

IUPACN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-1,2,4-oxadiazol-3-amine
SMILESCC(C)(C)c1ccccc1Oc1ncccc1Nc1noc(-c2ccccc2)n1
InChIInChI=1S/C23H22N4O2/c1-23(2,3)17-12-7-8-14-19(17)28-21-18(13-9-15-24-21)25-22-26-20(29-27-22)16-10-5-4-6-11-16/h4-15H,1-3H3,(H,25,27)
InChIKeyMPSFJPHIAXNBKR-UHFFFAOYSA-N
MW386.46 g/mol
LogP5.97
Rot. Bonds5

About N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-1,2,4-oxadiazol-3-amine

N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-1,2,4-oxadiazol-3-amine (PubChem CID 59129016) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-1,2,4-oxadiazol-3-amine
PubChem CID59129016
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-1,2,4-oxadiazol-3-amine
SMILESCC(C)(C)c1ccccc1Oc1ncccc1Nc1noc(-c2ccccc2)n1
InChIInChI=1S/C23H22N4O2/c1-23(2,3)17-12-7-8-14-19(17)28-21-18(13-9-15-24-21)25-22-26-20(29-27-22)16-10-5-4-6-11-16/h4-15H,1-3H3,(H,25,27)
InChIKeyMPSFJPHIAXNBKR-UHFFFAOYSA-N
XLogP5.97
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.46
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-1,2,4-oxadiazol-3-amine (CID 59129016) is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-1,2,4-oxadiazol-3-amine is CC(C)(C)c1ccccc1Oc1ncccc1Nc1noc(-c2ccccc2)n1.
What is the InChIKey of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-1,2,4-oxadiazol-3-amine?
The InChIKey is MPSFJPHIAXNBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-23(2,3)17-12-7-8-14-19(17)28-21-18(13-9-15-24-21)25-22-26-20(29-27-22)16-10-5-4-6-11-16/h4-15H,1-3H3,(H,25,27).
What are the key properties of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-1,2,4-oxadiazol-3-amine?
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-1,2,4-oxadiazol-3-amine has a molecular weight of 386.46 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 59129016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).