5-phenoxy-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine

C18H13N5O2 — CID 141393894

IUPAC5-phenoxy-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
SMILESNc1ncc(Oc2ccccc2)cc1-c1nnc(-c2cccnc2)o1
InChIInChI=1S/C18H13N5O2/c19-16-15(9-14(11-21-16)24-13-6-2-1-3-7-13)18-23-22-17(25-18)12-5-4-8-20-10-12/h1-11H,(H2,19,21)
InChIKeyTXRBUZPULNKPMY-UHFFFAOYSA-N
MW331.34 g/mol
LogP3.57
Rot. Bonds4

About 5-phenoxy-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine

5-phenoxy-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine (PubChem CID 141393894) has the molecular formula C18H13N5O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 5-phenoxy-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-phenoxy-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
PubChem CID141393894
Molecular FormulaC18H13N5O2
Molecular Weight331.34 g/mol
Exact Mass331.11
IUPAC Name5-phenoxy-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
SMILESNc1ncc(Oc2ccccc2)cc1-c1nnc(-c2cccnc2)o1
InChIInChI=1S/C18H13N5O2/c19-16-15(9-14(11-21-16)24-13-6-2-1-3-7-13)18-23-22-17(25-18)12-5-4-8-20-10-12/h1-11H,(H2,19,21)
InChIKeyTXRBUZPULNKPMY-UHFFFAOYSA-N
XLogP3.57
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-phenoxy-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine?
The IUPAC name of 5-phenoxy-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine (CID 141393894) is 5-phenoxy-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-phenoxy-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine?
The canonical SMILES for 5-phenoxy-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine is Nc1ncc(Oc2ccccc2)cc1-c1nnc(-c2cccnc2)o1.
What is the InChIKey of 5-phenoxy-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine?
The InChIKey is TXRBUZPULNKPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2/c19-16-15(9-14(11-21-16)24-13-6-2-1-3-7-13)18-23-22-17(25-18)12-5-4-8-20-10-12/h1-11H,(H2,19,21).
What are the key properties of 5-phenoxy-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine?
5-phenoxy-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine has a molecular weight of 331.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenoxy-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 141393894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).