4-(2-methoxyphenyl)sulfonyl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine

C16H21N3O5S — CID 75474711

IUPAC4-(2-methoxyphenyl)sulfonyl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCOc1ccccc1S(=O)(=O)N1CCOC(c2noc(C(C)C)n2)C1
InChIInChI=1S/C16H21N3O5S/c1-11(2)16-17-15(18-24-16)13-10-19(8-9-23-13)25(20,21)14-7-5-4-6-12(14)22-3/h4-7,11,13H,8-10H2,1-3H3
InChIKeyLXYMHFJICIKGQD-UHFFFAOYSA-N
MW367.43 g/mol
LogP1.96
Rot. Bonds5

About 4-(2-methoxyphenyl)sulfonyl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine

4-(2-methoxyphenyl)sulfonyl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine (PubChem CID 75474711) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)sulfonyl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)sulfonyl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
PubChem CID75474711
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC Name4-(2-methoxyphenyl)sulfonyl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCOc1ccccc1S(=O)(=O)N1CCOC(c2noc(C(C)C)n2)C1
InChIInChI=1S/C16H21N3O5S/c1-11(2)16-17-15(18-24-16)13-10-19(8-9-23-13)25(20,21)14-7-5-4-6-12(14)22-3/h4-7,11,13H,8-10H2,1-3H3
InChIKeyLXYMHFJICIKGQD-UHFFFAOYSA-N
XLogP1.96
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-4-[(2-chlorophenyl)methylsulfonyl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344782
5-[(3S)-1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129346859
2-(4-methoxyphenyl)-2-methyl-1-[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 97345083
4-(2-methylphenyl)sulfonyl-2-(4-methylpyrimidin-2-yl)morpholine
CID 110115458
(3-methoxyphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75474844
2-(4-methoxyphenyl)-4-(2-methylphenyl)sulfonylmorpholine
CID 110327287
(2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine
CID 42109148
N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 124995303
[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972182
N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
CID 125023339
4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
CID 110326792
4-(5-chloro-2-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
CID 110326818

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)sulfonyl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine?
The IUPAC name of 4-(2-methoxyphenyl)sulfonyl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine (CID 75474711) is 4-(2-methoxyphenyl)sulfonyl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine.
What is the SMILES notation for 4-(2-methoxyphenyl)sulfonyl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine?
The canonical SMILES for 4-(2-methoxyphenyl)sulfonyl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine is COc1ccccc1S(=O)(=O)N1CCOC(c2noc(C(C)C)n2)C1.
What is the InChIKey of 4-(2-methoxyphenyl)sulfonyl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine?
The InChIKey is LXYMHFJICIKGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5S/c1-11(2)16-17-15(18-24-16)13-10-19(8-9-23-13)25(20,21)14-7-5-4-6-12(14)22-3/h4-7,11,13H,8-10H2,1-3H3.
What are the key properties of 4-(2-methoxyphenyl)sulfonyl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine?
4-(2-methoxyphenyl)sulfonyl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine has a molecular weight of 367.43 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)sulfonyl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine is sourced from PubChem (CID 75474711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).