4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine

C22H24ClN3O5S — CID 18827103

IUPAC4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine
SMILESCOc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(NCCN3CCOCC3)o2)cc1
InChIInChI=1S/C22H24ClN3O5S/c1-29-18-6-2-16(3-7-18)20-25-22(32(27,28)19-8-4-17(23)5-9-19)21(31-20)24-10-11-26-12-14-30-15-13-26/h2-9,24H,10-15H2,1H3
InChIKeyNQGIIXZHXLABSN-UHFFFAOYSA-N
MW477.97 g/mol
LogP3.58
Rot. Bonds8

About 4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine

4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine (PubChem CID 18827103) has the molecular formula C22H24ClN3O5S and a molecular weight of 477.97 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine
PubChem CID18827103
Molecular FormulaC22H24ClN3O5S
Molecular Weight477.97 g/mol
Exact Mass477.11
IUPAC Name4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine
SMILESCOc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(NCCN3CCOCC3)o2)cc1
InChIInChI=1S/C22H24ClN3O5S/c1-29-18-6-2-16(3-7-18)20-25-22(32(27,28)19-8-4-17(23)5-9-19)21(31-20)24-10-11-26-12-14-30-15-13-26/h2-9,24H,10-15H2,1H3
InChIKeyNQGIIXZHXLABSN-UHFFFAOYSA-N
XLogP3.58
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.97
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine
CID 18827056
4-(benzenesulfonyl)-2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine
CID 3446909
4-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
CID 5267411
4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(3-methoxypropyl)-1,3-oxazol-5-amine
CID 18827102
4-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine
CID 18824939
2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)-1,3-oxazol-5-amine
CID 4704793
2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine
CID 18824775
N-[(2-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18827120
4-(benzenesulfonyl)-2-(4-bromophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine
CID 18825794
4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-(2-methoxyethyl)-1,3-oxazol-5-amine
CID 4704848
2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine
CID 18826346
2-[[2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]sulfonyl]-1-morpholin-4-ylethanone
CID 45354905

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine (CID 18827103) is 4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine is COc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(NCCN3CCOCC3)o2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine?
The InChIKey is NQGIIXZHXLABSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O5S/c1-29-18-6-2-16(3-7-18)20-25-22(32(27,28)19-8-4-17(23)5-9-19)21(31-20)24-10-11-26-12-14-30-15-13-26/h2-9,24H,10-15H2,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine?
4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine has a molecular weight of 477.97 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18827103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).