(2S)-4-benzyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine

C19H19N3O2 — CID 92574847

IUPAC(2S)-4-benzyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESc1ccc(CN2CCO[C@H](c3nc(-c4ccccc4)no3)C2)cc1
InChIInChI=1S/C19H19N3O2/c1-3-7-15(8-4-1)13-22-11-12-23-17(14-22)19-20-18(21-24-19)16-9-5-2-6-10-16/h1-10,17H,11-14H2/t17-/m0/s1
InChIKeySUGGAZNMFRPJMF-KRWDZBQOSA-N
MW321.38 g/mol
LogP3.31
Rot. Bonds4

About (2S)-4-benzyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine

(2S)-4-benzyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine (PubChem CID 92574847) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (2S)-4-benzyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-benzyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
PubChem CID92574847
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(2S)-4-benzyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESc1ccc(CN2CCO[C@H](c3nc(-c4ccccc4)no3)C2)cc1
InChIInChI=1S/C19H19N3O2/c1-3-7-15(8-4-1)13-22-11-12-23-17(14-22)19-20-18(21-24-19)16-9-5-2-6-10-16/h1-10,17H,11-14H2/t17-/m0/s1
InChIKeySUGGAZNMFRPJMF-KRWDZBQOSA-N
XLogP3.31
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The IUPAC name of (2S)-4-benzyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine (CID 92574847) is (2S)-4-benzyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine.
What is the SMILES notation for (2S)-4-benzyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The canonical SMILES for (2S)-4-benzyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine is c1ccc(CN2CCO[C@H](c3nc(-c4ccccc4)no3)C2)cc1.
What is the InChIKey of (2S)-4-benzyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The InChIKey is SUGGAZNMFRPJMF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-7-15(8-4-1)13-22-11-12-23-17(14-22)19-20-18(21-24-19)16-9-5-2-6-10-16/h1-10,17H,11-14H2/t17-/m0/s1.
What are the key properties of (2S)-4-benzyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
(2S)-4-benzyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine has a molecular weight of 321.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine is sourced from PubChem (CID 92574847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).