2-(4-chlorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine

C14H16ClN3O2 — CID 47054221

IUPAC2-(4-chlorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
SMILESCc1nnc(CN2CCOC(c3ccc(Cl)cc3)C2)o1
InChIInChI=1S/C14H16ClN3O2/c1-10-16-17-14(20-10)9-18-6-7-19-13(8-18)11-2-4-12(15)5-3-11/h2-5,13H,6-9H2,1H3
InChIKeyRKNHQGJBAMJIOD-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.60
Rot. Bonds3

About 2-(4-chlorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine

2-(4-chlorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine (PubChem CID 47054221) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
PubChem CID47054221
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name2-(4-chlorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
SMILESCc1nnc(CN2CCOC(c3ccc(Cl)cc3)C2)o1
InChIInChI=1S/C14H16ClN3O2/c1-10-16-17-14(20-10)9-18-6-7-19-13(8-18)11-2-4-12(15)5-3-11/h2-5,13H,6-9H2,1H3
InChIKeyRKNHQGJBAMJIOD-UHFFFAOYSA-N
XLogP2.60
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine?
The IUPAC name of 2-(4-chlorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine (CID 47054221) is 2-(4-chlorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine?
The canonical SMILES for 2-(4-chlorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine is Cc1nnc(CN2CCOC(c3ccc(Cl)cc3)C2)o1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine?
The InChIKey is RKNHQGJBAMJIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-10-16-17-14(20-10)9-18-6-7-19-13(8-18)11-2-4-12(15)5-3-11/h2-5,13H,6-9H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine?
2-(4-chlorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine has a molecular weight of 293.75 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine is sourced from PubChem (CID 47054221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).