5-phenyl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine

C12H9N5O — CID 162660257

IUPAC5-phenyl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine
SMILESc1ccc(-c2nnc(Nc3ncccn3)o2)cc1
InChIInChI=1S/C12H9N5O/c1-2-5-9(6-3-1)10-16-17-12(18-10)15-11-13-7-4-8-14-11/h1-8H,(H,13,14,15,17)
InChIKeyAQUGDAJVVDHBAZ-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.27
Rot. Bonds3

About 5-phenyl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine

5-phenyl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 162660257) has the molecular formula C12H9N5O and a molecular weight of 239.24 g/mol. Its IUPAC name is 5-phenyl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-phenyl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID162660257
Molecular FormulaC12H9N5O
Molecular Weight239.24 g/mol
Exact Mass239.08
IUPAC Name5-phenyl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine
SMILESc1ccc(-c2nnc(Nc3ncccn3)o2)cc1
InChIInChI=1S/C12H9N5O/c1-2-5-9(6-3-1)10-16-17-12(18-10)15-11-13-7-4-8-14-11/h1-8H,(H,13,14,15,17)
InChIKeyAQUGDAJVVDHBAZ-UHFFFAOYSA-N
XLogP2.27
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-phenyl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine (CID 162660257) is 5-phenyl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-phenyl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-phenyl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine is c1ccc(-c2nnc(Nc3ncccn3)o2)cc1.
What is the InChIKey of 5-phenyl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is AQUGDAJVVDHBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O/c1-2-5-9(6-3-1)10-16-17-12(18-10)15-11-13-7-4-8-14-11/h1-8H,(H,13,14,15,17).
What are the key properties of 5-phenyl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine?
5-phenyl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 239.24 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 162660257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).