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

C16H11N5O — CID 162659805

IUPAC5-naphthalen-1-yl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine
SMILESc1cnc(Nc2nnc(-c3cccc4ccccc34)o2)nc1
InChIInChI=1S/C16H11N5O/c1-2-7-12-11(5-1)6-3-8-13(12)14-20-21-16(22-14)19-15-17-9-4-10-18-15/h1-10H,(H,17,18,19,21)
InChIKeyXWDVGVZCDUPRMY-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.42
Rot. Bonds3

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

5-naphthalen-1-yl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 162659805) has the molecular formula C16H11N5O and a molecular weight of 289.30 g/mol. Its IUPAC name is 5-naphthalen-1-yl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-naphthalen-1-yl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID162659805
Molecular FormulaC16H11N5O
Molecular Weight289.30 g/mol
Exact Mass289.10
IUPAC Name5-naphthalen-1-yl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine
SMILESc1cnc(Nc2nnc(-c3cccc4ccccc34)o2)nc1
InChIInChI=1S/C16H11N5O/c1-2-7-12-11(5-1)6-3-8-13(12)14-20-21-16(22-14)19-15-17-9-4-10-18-15/h1-10H,(H,17,18,19,21)
InChIKeyXWDVGVZCDUPRMY-UHFFFAOYSA-N
XLogP3.42
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-naphthalen-1-yl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine (CID 162659805) is 5-naphthalen-1-yl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-naphthalen-1-yl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-naphthalen-1-yl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine is c1cnc(Nc2nnc(-c3cccc4ccccc34)o2)nc1.
What is the InChIKey of 5-naphthalen-1-yl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is XWDVGVZCDUPRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O/c1-2-7-12-11(5-1)6-3-8-13(12)14-20-21-16(22-14)19-15-17-9-4-10-18-15/h1-10H,(H,17,18,19,21).
What are the key properties of 5-naphthalen-1-yl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine?
5-naphthalen-1-yl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 289.30 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 162659805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).