5-(2-chlorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine

C12H8ClN5O — CID 162655859

IUPAC5-(2-chlorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine
SMILESClc1ccccc1-c1nnc(Nc2ncccn2)o1
InChIInChI=1S/C12H8ClN5O/c13-9-5-2-1-4-8(9)10-17-18-12(19-10)16-11-14-6-3-7-15-11/h1-7H,(H,14,15,16,18)
InChIKeyGCTGYRFOUVGLDM-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.92
Rot. Bonds3

About 5-(2-chlorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine

5-(2-chlorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 162655859) has the molecular formula C12H8ClN5O and a molecular weight of 273.68 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID162655859
Molecular FormulaC12H8ClN5O
Molecular Weight273.68 g/mol
Exact Mass273.04
IUPAC Name5-(2-chlorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine
SMILESClc1ccccc1-c1nnc(Nc2ncccn2)o1
InChIInChI=1S/C12H8ClN5O/c13-9-5-2-1-4-8(9)10-17-18-12(19-10)16-11-14-6-3-7-15-11/h1-7H,(H,14,15,16,18)
InChIKeyGCTGYRFOUVGLDM-UHFFFAOYSA-N
XLogP2.92
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-chlorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine (CID 162655859) is 5-(2-chlorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-chlorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine is Clc1ccccc1-c1nnc(Nc2ncccn2)o1.
What is the InChIKey of 5-(2-chlorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is GCTGYRFOUVGLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN5O/c13-9-5-2-1-4-8(9)10-17-18-12(19-10)16-11-14-6-3-7-15-11/h1-7H,(H,14,15,16,18).
What are the key properties of 5-(2-chlorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine?
5-(2-chlorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 273.68 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 162655859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).