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

C18H13N3O — CID 2815521

IUPAC5-naphthalen-1-yl-N-phenyl-1,3,4-oxadiazol-2-amine
SMILESc1ccc(Nc2nnc(-c3cccc4ccccc34)o2)cc1
InChIInChI=1S/C18H13N3O/c1-2-9-14(10-3-1)19-18-21-20-17(22-18)16-12-6-8-13-7-4-5-11-15(13)16/h1-12H,(H,19,21)
InChIKeyIECBEQWOBYQZIS-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.63
Rot. Bonds3

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

5-naphthalen-1-yl-N-phenyl-1,3,4-oxadiazol-2-amine (PubChem CID 2815521) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-naphthalen-1-yl-N-phenyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-naphthalen-1-yl-N-phenyl-1,3,4-oxadiazol-2-amine
PubChem CID2815521
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name5-naphthalen-1-yl-N-phenyl-1,3,4-oxadiazol-2-amine
SMILESc1ccc(Nc2nnc(-c3cccc4ccccc34)o2)cc1
InChIInChI=1S/C18H13N3O/c1-2-9-14(10-3-1)19-18-21-20-17(22-18)16-12-6-8-13-7-4-5-11-15(13)16/h1-12H,(H,19,21)
InChIKeyIECBEQWOBYQZIS-UHFFFAOYSA-N
XLogP4.63
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-naphthalen-1-yl-N-pyridin-3-yl-1,3,4-oxadiazol-2-amine
CID 2815838
N,5-diphenyl-1,3,4-oxadiazol-2-amine
CID 12616884
5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 11463599
5-(2-methyl-3-pyridinyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 143729405
5-(3-chloro-1-benzothiophen-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 15141971
N-phenyl-5-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 90667490
N-ethyl-2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62164993
chloroform;2-naphthalen-1-yl-5-(tribromomethyl)-1,3,4-oxadiazole
CID 174975798
5-(2-bromophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 59152546
2-methyl-1-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
CID 111459478
2-naphthalen-1-yl-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole
CID 136746089
3-N-(3-naphthalen-1-ylphenyl)-1-N-phenylbenzene-1,3-diamine
CID 139380119

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-N-phenyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-naphthalen-1-yl-N-phenyl-1,3,4-oxadiazol-2-amine (CID 2815521) is 5-naphthalen-1-yl-N-phenyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-naphthalen-1-yl-N-phenyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-naphthalen-1-yl-N-phenyl-1,3,4-oxadiazol-2-amine is c1ccc(Nc2nnc(-c3cccc4ccccc34)o2)cc1.
What is the InChIKey of 5-naphthalen-1-yl-N-phenyl-1,3,4-oxadiazol-2-amine?
The InChIKey is IECBEQWOBYQZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c1-2-9-14(10-3-1)19-18-21-20-17(22-18)16-12-6-8-13-7-4-5-11-15(13)16/h1-12H,(H,19,21).
What are the key properties of 5-naphthalen-1-yl-N-phenyl-1,3,4-oxadiazol-2-amine?
5-naphthalen-1-yl-N-phenyl-1,3,4-oxadiazol-2-amine has a molecular weight of 287.32 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-N-phenyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 2815521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).