5-naphthalen-1-yl-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine

C17H12N4O — CID 2815838

IUPAC5-naphthalen-1-yl-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine
SMILESc1cncc(Nc2nnc(-c3cccc4ccccc34)o2)c1
InChIInChI=1S/C17H12N4O/c1-2-8-14-12(5-1)6-3-9-15(14)16-20-21-17(22-16)19-13-7-4-10-18-11-13/h1-11H,(H,19,21)
InChIKeyKRIDNPQMGIHYHA-UHFFFAOYSA-N
MW288.31 g/mol
LogP4.03
Rot. Bonds3

About 5-naphthalen-1-yl-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine

5-naphthalen-1-yl-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine (PubChem CID 2815838) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 5-naphthalen-1-yl-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-naphthalen-1-yl-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine
PubChem CID2815838
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name5-naphthalen-1-yl-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine
SMILESc1cncc(Nc2nnc(-c3cccc4ccccc34)o2)c1
InChIInChI=1S/C17H12N4O/c1-2-8-14-12(5-1)6-3-9-15(14)16-20-21-17(22-16)19-13-7-4-10-18-11-13/h1-11H,(H,19,21)
InChIKeyKRIDNPQMGIHYHA-UHFFFAOYSA-N
XLogP4.03
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-naphthalen-1-yl-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine (CID 2815838) is 5-naphthalen-1-yl-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-naphthalen-1-yl-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-naphthalen-1-yl-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine is c1cncc(Nc2nnc(-c3cccc4ccccc34)o2)c1.
What is the InChIKey of 5-naphthalen-1-yl-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is KRIDNPQMGIHYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c1-2-8-14-12(5-1)6-3-9-15(14)16-20-21-17(22-16)19-13-7-4-10-18-11-13/h1-11H,(H,19,21).
What are the key properties of 5-naphthalen-1-yl-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine?
5-naphthalen-1-yl-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 288.31 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 2815838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).