2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone

C21H20ClN3O5S — CID 110828479

IUPAC2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
SMILESO=C(CNc1cc(-c2ccc(Cl)cc2)no1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H20ClN3O5S/c22-17-5-1-15(2-6-17)19-13-21(30-24-19)23-14-20(26)16-3-7-18(8-4-16)31(27,28)25-9-11-29-12-10-25/h1-8,13,23H,9-12,14H2
InChIKeyKYJXNKYLIHDGIZ-UHFFFAOYSA-N
MW461.93 g/mol
LogP3.31
Rot. Bonds7

About 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone

2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone (PubChem CID 110828479) has the molecular formula C21H20ClN3O5S and a molecular weight of 461.93 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
PubChem CID110828479
Molecular FormulaC21H20ClN3O5S
Molecular Weight461.93 g/mol
Exact Mass461.08
IUPAC Name2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
SMILESO=C(CNc1cc(-c2ccc(Cl)cc2)no1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H20ClN3O5S/c22-17-5-1-15(2-6-17)19-13-21(30-24-19)23-14-20(26)16-3-7-18(8-4-16)31(27,28)25-9-11-29-12-10-25/h1-8,13,23H,9-12,14H2
InChIKeyKYJXNKYLIHDGIZ-UHFFFAOYSA-N
XLogP3.31
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.93
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829438
2-[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
CID 110828493
1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylanilino)ethanone
CID 110828401
2-[4-(azepan-1-ylsulfonyl)anilino]-1-(4-chlorophenyl)ethanone
CID 110825269
1-(3-fluoro-4-methylphenyl)-2-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanone
CID 110830453
2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
CID 110828503
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 56569809
1-(3-fluoro-4-methylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)ethanone
CID 110830447
[2-(4-chlorophenyl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 3508397
2-[4-(1,3-benzoxazol-2-yl)anilino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
CID 110828482
methyl 3-(4-morpholin-4-ylsulfonylphenyl)-3-oxopropanoate
CID 118538510
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 55646198

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone?
The IUPAC name of 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone (CID 110828479) is 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone?
The canonical SMILES for 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone is O=C(CNc1cc(-c2ccc(Cl)cc2)no1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone?
The InChIKey is KYJXNKYLIHDGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O5S/c22-17-5-1-15(2-6-17)19-13-21(30-24-19)23-14-20(26)16-3-7-18(8-4-16)31(27,28)25-9-11-29-12-10-25/h1-8,13,23H,9-12,14H2.
What are the key properties of 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone?
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone has a molecular weight of 461.93 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 110828479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).