3-morpholin-4-ylsulfonyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]aniline

C16H22N4O4S — CID 86919559

IUPAC3-morpholin-4-ylsulfonyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]aniline
SMILESCCCc1noc(CNc2cccc(S(=O)(=O)N3CCOCC3)c2)n1
InChIInChI=1S/C16H22N4O4S/c1-2-4-15-18-16(24-19-15)12-17-13-5-3-6-14(11-13)25(21,22)20-7-9-23-10-8-20/h3,5-6,11,17H,2,4,7-10,12H2,1H3
InChIKeySYAOIOUPCVIPLR-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.66
Rot. Bonds7

About 3-morpholin-4-ylsulfonyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]aniline

3-morpholin-4-ylsulfonyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]aniline (PubChem CID 86919559) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]aniline
PubChem CID86919559
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC Name3-morpholin-4-ylsulfonyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]aniline
SMILESCCCc1noc(CNc2cccc(S(=O)(=O)N3CCOCC3)c2)n1
InChIInChI=1S/C16H22N4O4S/c1-2-4-15-18-16(24-19-15)12-17-13-5-3-6-14(11-13)25(21,22)20-7-9-23-10-8-20/h3,5-6,11,17H,2,4,7-10,12H2,1H3
InChIKeySYAOIOUPCVIPLR-UHFFFAOYSA-N
XLogP1.66
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(azepan-1-ylsulfonyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 31984010
N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline
CID 55534043
3-morpholin-4-ylsulfonyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]aniline
CID 86919018
N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-morpholin-4-ylsulfonylaniline
CID 78795409
5-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 18167609
N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 6469836
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)pentanamide
CID 119262364
N-(3-methylphenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 7409947
1,3-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-sulfonamide
CID 22203328
1-butyl-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
CID 19680401
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylaniline
CID 55680981
1-methyl-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
CID 19680404

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]aniline (CID 86919559) is 3-morpholin-4-ylsulfonyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]aniline.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]aniline is CCCc1noc(CNc2cccc(S(=O)(=O)N3CCOCC3)c2)n1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The InChIKey is SYAOIOUPCVIPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-2-4-15-18-16(24-19-15)12-17-13-5-3-6-14(11-13)25(21,22)20-7-9-23-10-8-20/h3,5-6,11,17H,2,4,7-10,12H2,1H3.
What are the key properties of 3-morpholin-4-ylsulfonyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
3-morpholin-4-ylsulfonyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]aniline has a molecular weight of 366.44 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]aniline is sourced from PubChem (CID 86919559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).