N-ethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

C15H14N4O — CID 23613814

IUPACN-ethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCCNc1ncccc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C15H14N4O/c1-2-16-14-12(9-6-10-17-14)15-18-13(19-20-15)11-7-4-3-5-8-11/h3-10H,2H2,1H3,(H,16,17)
InChIKeyZRHUFBPTGXSZCS-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.23
Rot. Bonds4

About N-ethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

N-ethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (PubChem CID 23613814) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-ethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
PubChem CID23613814
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-ethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCCNc1ncccc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C15H14N4O/c1-2-16-14-12(9-6-10-17-14)15-18-13(19-20-15)11-7-4-3-5-8-11/h3-10H,2H2,1H3,(H,16,17)
InChIKeyZRHUFBPTGXSZCS-UHFFFAOYSA-N
XLogP3.23
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The IUPAC name of N-ethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (CID 23613814) is N-ethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-ethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is CCNc1ncccc1-c1nc(-c2ccccc2)no1.
What is the InChIKey of N-ethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The InChIKey is ZRHUFBPTGXSZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-2-16-14-12(9-6-10-17-14)15-18-13(19-20-15)11-7-4-3-5-8-11/h3-10H,2H2,1H3,(H,16,17).
What are the key properties of N-ethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
N-ethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine has a molecular weight of 266.30 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 23613814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).