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

C21H22FN3O4S — CID 18824939

IUPAC4-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc(F)cc1)c1nc(-c2ccccc2)oc1NCCN1CCOCC1
InChIInChI=1S/C21H22FN3O4S/c22-17-6-8-18(9-7-17)30(26,27)21-20(23-10-11-25-12-14-28-15-13-25)29-19(24-21)16-4-2-1-3-5-16/h1-9,23H,10-15H2
InChIKeyMXUQENOQQWGFEY-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.06
Rot. Bonds7

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

4-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine (PubChem CID 18824939) has the molecular formula C21H22FN3O4S and a molecular weight of 431.49 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine
PubChem CID18824939
Molecular FormulaC21H22FN3O4S
Molecular Weight431.49 g/mol
Exact Mass431.13
IUPAC Name4-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc(F)cc1)c1nc(-c2ccccc2)oc1NCCN1CCOCC1
InChIInChI=1S/C21H22FN3O4S/c22-17-6-8-18(9-7-17)30(26,27)21-20(23-10-11-25-12-14-28-15-13-25)29-19(24-21)16-4-2-1-3-5-16/h1-9,23H,10-15H2
InChIKeyMXUQENOQQWGFEY-UHFFFAOYSA-N
XLogP3.06
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine (CID 18824939) is 4-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine is O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccccc2)oc1NCCN1CCOCC1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine?
The InChIKey is MXUQENOQQWGFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4S/c22-17-6-8-18(9-7-17)30(26,27)21-20(23-10-11-25-12-14-28-15-13-25)29-19(24-21)16-4-2-1-3-5-16/h1-9,23H,10-15H2.
What are the key properties of 4-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine?
4-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine has a molecular weight of 431.49 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine is sourced from PubChem (CID 18824939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).