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

C16H15N3O2 — CID 62716226

IUPAC2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)morpholine
SMILESc1ccc2c(-c3noc(C4CNCCO4)n3)cccc2c1
InChIInChI=1S/C16H15N3O2/c1-2-6-12-11(4-1)5-3-7-13(12)15-18-16(21-19-15)14-10-17-8-9-20-14/h1-7,14,17H,8-10H2
InChIKeyCOGDLOYEEJGPEO-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.55
Rot. Bonds2

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

2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)morpholine (PubChem CID 62716226) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)morpholine.

Molecular Properties

Compound Name2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)morpholine
PubChem CID62716226
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)morpholine
SMILESc1ccc2c(-c3noc(C4CNCCO4)n3)cccc2c1
InChIInChI=1S/C16H15N3O2/c1-2-6-12-11(4-1)5-3-7-13(12)15-18-16(21-19-15)14-10-17-8-9-20-14/h1-7,14,17H,8-10H2
InChIKeyCOGDLOYEEJGPEO-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

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CID 92574847
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CID 61738188
CID 61738188
CID 46956712
CID 46956712
CID 46956722
CID 46956722
CID 46956725
CID 46956725
CID 46956727
CID 46956727
CID 61735829
CID 61735829
CID 61736031
CID 61736031
CID 61736224
CID 61736224
CID 61736225
CID 61736225
CID 61736621
CID 61736621

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)morpholine?
The IUPAC name of 2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)morpholine (CID 62716226) is 2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)morpholine.
What is the SMILES notation for 2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)morpholine?
The canonical SMILES for 2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)morpholine is c1ccc2c(-c3noc(C4CNCCO4)n3)cccc2c1.
What is the InChIKey of 2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)morpholine?
The InChIKey is COGDLOYEEJGPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-6-12-11(4-1)5-3-7-13(12)15-18-16(21-19-15)14-10-17-8-9-20-14/h1-7,14,17H,8-10H2.
What are the key properties of 2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)morpholine?
2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-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 2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)morpholine is sourced from PubChem (CID 62716226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).