3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)morpholine

C16H15N3O2 — CID 75484051

IUPAC3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)morpholine
SMILESc1ccc2cc(-c3nc(C4COCCN4)no3)ccc2c1
InChIInChI=1S/C16H15N3O2/c1-2-4-12-9-13(6-5-11(12)3-1)16-18-15(19-21-16)14-10-20-8-7-17-14/h1-6,9,14,17H,7-8,10H2
InChIKeyLHRPFQGQTOFNMU-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.55
Rot. Bonds2

About 3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)morpholine

3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)morpholine (PubChem CID 75484051) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)morpholine.

Molecular Properties

Compound Name3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)morpholine
PubChem CID75484051
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)morpholine
SMILESc1ccc2cc(-c3nc(C4COCCN4)no3)ccc2c1
InChIInChI=1S/C16H15N3O2/c1-2-4-12-9-13(6-5-11(12)3-1)16-18-15(19-21-16)14-10-20-8-7-17-14/h1-6,9,14,17H,7-8,10H2
InChIKeyLHRPFQGQTOFNMU-UHFFFAOYSA-N
XLogP2.55
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-quinolin-6-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 103971459
3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 113360104
3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride
CID 75484039
3-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 103971488
3-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971493
3-(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 103971456
3-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 107099560
3-[5-(2-chloro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971569
3-[5-(5-bromo-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971678
3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 103971687
3-[5-(4,5-dimethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 113360122
3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 75355392

Frequently Asked Questions

What is the IUPAC name of 3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)morpholine?
The IUPAC name of 3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)morpholine (CID 75484051) is 3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)morpholine.
What is the SMILES notation for 3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)morpholine?
The canonical SMILES for 3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)morpholine is c1ccc2cc(-c3nc(C4COCCN4)no3)ccc2c1.
What is the InChIKey of 3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)morpholine?
The InChIKey is LHRPFQGQTOFNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-4-12-9-13(6-5-11(12)3-1)16-18-15(19-21-16)14-10-20-8-7-17-14/h1-6,9,14,17H,7-8,10H2.
What are the key properties of 3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)morpholine?
3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)morpholine has a molecular weight of 281.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)morpholine is sourced from PubChem (CID 75484051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).