(2S)-4-[(2-chlorophenyl)methylsulfonyl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine

C16H20ClN3O4S — CID 97344782

IUPAC(2S)-4-[(2-chlorophenyl)methylsulfonyl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCC(C)c1nc([C@@H]2CN(S(=O)(=O)Cc3ccccc3Cl)CCO2)no1
InChIInChI=1S/C16H20ClN3O4S/c1-11(2)16-18-15(19-24-16)14-9-20(7-8-23-14)25(21,22)10-12-5-3-4-6-13(12)17/h3-6,11,14H,7-10H2,1-2H3/t14-/m0/s1
InChIKeyNZZZIYIFFAXPQL-AWEZNQCLSA-N
MW385.87 g/mol
LogP2.75
Rot. Bonds5

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

(2S)-4-[(2-chlorophenyl)methylsulfonyl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine (PubChem CID 97344782) has the molecular formula C16H20ClN3O4S and a molecular weight of 385.87 g/mol. Its IUPAC name is (2S)-4-[(2-chlorophenyl)methylsulfonyl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(2-chlorophenyl)methylsulfonyl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
PubChem CID97344782
Molecular FormulaC16H20ClN3O4S
Molecular Weight385.87 g/mol
Exact Mass385.09
IUPAC Name(2S)-4-[(2-chlorophenyl)methylsulfonyl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCC(C)c1nc([C@@H]2CN(S(=O)(=O)Cc3ccccc3Cl)CCO2)no1
InChIInChI=1S/C16H20ClN3O4S/c1-11(2)16-18-15(19-24-16)14-9-20(7-8-23-14)25(21,22)10-12-5-3-4-6-13(12)17/h3-6,11,14H,7-10H2,1-2H3/t14-/m0/s1
InChIKeyNZZZIYIFFAXPQL-AWEZNQCLSA-N
XLogP2.75
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2-chlorophenyl)methylsulfonyl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine?
The IUPAC name of (2S)-4-[(2-chlorophenyl)methylsulfonyl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine (CID 97344782) is (2S)-4-[(2-chlorophenyl)methylsulfonyl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine.
What is the SMILES notation for (2S)-4-[(2-chlorophenyl)methylsulfonyl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine?
The canonical SMILES for (2S)-4-[(2-chlorophenyl)methylsulfonyl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine is CC(C)c1nc([C@@H]2CN(S(=O)(=O)Cc3ccccc3Cl)CCO2)no1.
What is the InChIKey of (2S)-4-[(2-chlorophenyl)methylsulfonyl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine?
The InChIKey is NZZZIYIFFAXPQL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20ClN3O4S/c1-11(2)16-18-15(19-24-16)14-9-20(7-8-23-14)25(21,22)10-12-5-3-4-6-13(12)17/h3-6,11,14H,7-10H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-4-[(2-chlorophenyl)methylsulfonyl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine?
(2S)-4-[(2-chlorophenyl)methylsulfonyl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine has a molecular weight of 385.87 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2-chlorophenyl)methylsulfonyl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine is sourced from PubChem (CID 97344782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).