4-[(1S)-1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]ethyl]morpholine

C21H23N3O2 — CID 95226633

IUPAC4-[(1S)-1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]ethyl]morpholine
SMILESCc1nnc(-c2cccc(-c3ccc([C@H](C)N4CCOCC4)cc3)c2)o1
InChIInChI=1S/C21H23N3O2/c1-15(24-10-12-25-13-11-24)17-6-8-18(9-7-17)19-4-3-5-20(14-19)21-23-22-16(2)26-21/h3-9,14-15H,10-13H2,1-2H3/t15-/m0/s1
InChIKeyQSHBNPCHGPYYNS-HNNXBMFYSA-N
MW349.43 g/mol
LogP4.11
Rot. Bonds4

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

4-[(1S)-1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]ethyl]morpholine (PubChem CID 95226633) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-[(1S)-1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[(1S)-1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]ethyl]morpholine
PubChem CID95226633
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-[(1S)-1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]ethyl]morpholine
SMILESCc1nnc(-c2cccc(-c3ccc([C@H](C)N4CCOCC4)cc3)c2)o1
InChIInChI=1S/C21H23N3O2/c1-15(24-10-12-25-13-11-24)17-6-8-18(9-7-17)19-4-3-5-20(14-19)21-23-22-16(2)26-21/h3-9,14-15H,10-13H2,1-2H3/t15-/m0/s1
InChIKeyQSHBNPCHGPYYNS-HNNXBMFYSA-N
XLogP4.11
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]ethyl]morpholine?
The IUPAC name of 4-[(1S)-1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]ethyl]morpholine (CID 95226633) is 4-[(1S)-1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]ethyl]morpholine.
What is the SMILES notation for 4-[(1S)-1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]ethyl]morpholine?
The canonical SMILES for 4-[(1S)-1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]ethyl]morpholine is Cc1nnc(-c2cccc(-c3ccc([C@H](C)N4CCOCC4)cc3)c2)o1.
What is the InChIKey of 4-[(1S)-1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]ethyl]morpholine?
The InChIKey is QSHBNPCHGPYYNS-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15(24-10-12-25-13-11-24)17-6-8-18(9-7-17)19-4-3-5-20(14-19)21-23-22-16(2)26-21/h3-9,14-15H,10-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 4-[(1S)-1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]ethyl]morpholine?
4-[(1S)-1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]ethyl]morpholine has a molecular weight of 349.43 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]ethyl]morpholine is sourced from PubChem (CID 95226633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).