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

C20H21N3O4S — CID 86919018

IUPAC3-morpholin-4-ylsulfonyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]aniline
SMILESO=S(=O)(c1cccc(NCc2cc(-c3ccccc3)no2)c1)N1CCOCC1
InChIInChI=1S/C20H21N3O4S/c24-28(25,23-9-11-26-12-10-23)19-8-4-7-17(13-19)21-15-18-14-20(22-27-18)16-5-2-1-3-6-16/h1-8,13-14,21H,9-12,15H2
InChIKeyCBKAGXUEFSBUEY-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.97
Rot. Bonds6

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

3-morpholin-4-ylsulfonyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]aniline (PubChem CID 86919018) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]aniline
PubChem CID86919018
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name3-morpholin-4-ylsulfonyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]aniline
SMILESO=S(=O)(c1cccc(NCc2cc(-c3ccccc3)no2)c1)N1CCOCC1
InChIInChI=1S/C20H21N3O4S/c24-28(25,23-9-11-26-12-10-23)19-8-4-7-17(13-19)21-15-18-14-20(22-27-18)16-5-2-1-3-6-16/h1-8,13-14,21H,9-12,15H2
InChIKeyCBKAGXUEFSBUEY-UHFFFAOYSA-N
XLogP2.97
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-morpholin-4-ylsulfonyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 86919559
N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 6469836
(3-phenyl-1,2-oxazol-5-yl)methyl 3-piperidin-1-ylsulfonylbenzoate
CID 55476044
6,6-difluoro-4-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]-1,4-oxazepane
CID 167916601
1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea
CID 19680416
N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-morpholin-4-ylsulfonylaniline
CID 78795409
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 4663146
1-methyl-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
CID 19680404
1-morpholin-4-yl-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone
CID 4009166
3-(azepan-1-ylsulfonyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 31984010
N-(3-methylphenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 7409947
3-amino-N-(3-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide;hydrochloride
CID 119948702

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]aniline?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]aniline (CID 86919018) is 3-morpholin-4-ylsulfonyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]aniline.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]aniline?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]aniline is O=S(=O)(c1cccc(NCc2cc(-c3ccccc3)no2)c1)N1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]aniline?
The InChIKey is CBKAGXUEFSBUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c24-28(25,23-9-11-26-12-10-23)19-8-4-7-17(13-19)21-15-18-14-20(22-27-18)16-5-2-1-3-6-16/h1-8,13-14,21H,9-12,15H2.
What are the key properties of 3-morpholin-4-ylsulfonyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]aniline?
3-morpholin-4-ylsulfonyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]aniline has a molecular weight of 399.47 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]aniline is sourced from PubChem (CID 86919018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).