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

C16H17Cl2N3O2 — CID 72913852

IUPAC4-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-(3,4-dichlorophenyl)morpholine
SMILESClc1ccc(C2CN(c3nnc(C4CCC4)o3)CCO2)cc1Cl
InChIInChI=1S/C16H17Cl2N3O2/c17-12-5-4-11(8-13(12)18)14-9-21(6-7-22-14)16-20-19-15(23-16)10-2-1-3-10/h4-5,8,10,14H,1-3,6-7,9H2
InChIKeyNRXNTJRMHOVZPT-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.22
Rot. Bonds3

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

4-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-(3,4-dichlorophenyl)morpholine (PubChem CID 72913852) has the molecular formula C16H17Cl2N3O2 and a molecular weight of 354.24 g/mol. Its IUPAC name is 4-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-(3,4-dichlorophenyl)morpholine.

Molecular Properties

Compound Name4-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-(3,4-dichlorophenyl)morpholine
PubChem CID72913852
Molecular FormulaC16H17Cl2N3O2
Molecular Weight354.24 g/mol
Exact Mass353.07
IUPAC Name4-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-(3,4-dichlorophenyl)morpholine
SMILESClc1ccc(C2CN(c3nnc(C4CCC4)o3)CCO2)cc1Cl
InChIInChI=1S/C16H17Cl2N3O2/c17-12-5-4-11(8-13(12)18)14-9-21(6-7-22-14)16-20-19-15(23-16)10-2-1-3-10/h4-5,8,10,14H,1-3,6-7,9H2
InChIKeyNRXNTJRMHOVZPT-UHFFFAOYSA-N
XLogP4.22
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-(3,4-dichlorophenyl)morpholine?
The IUPAC name of 4-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-(3,4-dichlorophenyl)morpholine (CID 72913852) is 4-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-(3,4-dichlorophenyl)morpholine.
What is the SMILES notation for 4-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-(3,4-dichlorophenyl)morpholine?
The canonical SMILES for 4-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-(3,4-dichlorophenyl)morpholine is Clc1ccc(C2CN(c3nnc(C4CCC4)o3)CCO2)cc1Cl.
What is the InChIKey of 4-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-(3,4-dichlorophenyl)morpholine?
The InChIKey is NRXNTJRMHOVZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2/c17-12-5-4-11(8-13(12)18)14-9-21(6-7-22-14)16-20-19-15(23-16)10-2-1-3-10/h4-5,8,10,14H,1-3,6-7,9H2.
What are the key properties of 4-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-(3,4-dichlorophenyl)morpholine?
4-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-(3,4-dichlorophenyl)morpholine has a molecular weight of 354.24 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-(3,4-dichlorophenyl)morpholine is sourced from PubChem (CID 72913852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).