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

C22H24FN3O5S — CID 18827056

IUPAC4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine
SMILESCOc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(NCCN3CCOCC3)o2)cc1
InChIInChI=1S/C22H24FN3O5S/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
InChIKeyAPOHEHZHJVDIFJ-UHFFFAOYSA-N
MW461.52 g/mol
LogP3.07
Rot. Bonds8

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

4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine (PubChem CID 18827056) has the molecular formula C22H24FN3O5S and a molecular weight of 461.52 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine
PubChem CID18827056
Molecular FormulaC22H24FN3O5S
Molecular Weight461.52 g/mol
Exact Mass461.14
IUPAC Name4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine
SMILESCOc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(NCCN3CCOCC3)o2)cc1
InChIInChI=1S/C22H24FN3O5S/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
InChIKeyAPOHEHZHJVDIFJ-UHFFFAOYSA-N
XLogP3.07
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine
CID 18827103
4-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine
CID 18824939
2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine
CID 18824775
4-(benzenesulfonyl)-2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine
CID 3446909
4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine
CID 18827051
4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine
CID 18825366
4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
CID 18827053
N-benzyl-2-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18890238
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18827066
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine
CID 16649775
4-(benzenesulfonyl)-2-(4-bromophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine
CID 18825794
4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-oxazol-5-amine
CID 18825123

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine (CID 18827056) is 4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine is COc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(NCCN3CCOCC3)o2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine?
The InChIKey is APOHEHZHJVDIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O5S/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-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine?
4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine has a molecular weight of 461.52 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18827056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).