4-[4-(4-ethylphenyl)sulfonyl-2-naphthalen-1-yl-1,3-oxazol-5-yl]morpholine

C25H24N2O4S — CID 18890424

IUPAC4-[4-(4-ethylphenyl)sulfonyl-2-naphthalen-1-yl-1,3-oxazol-5-yl]morpholine
SMILESCCc1ccc(S(=O)(=O)c2nc(-c3cccc4ccccc34)oc2N2CCOCC2)cc1
InChIInChI=1S/C25H24N2O4S/c1-2-18-10-12-20(13-11-18)32(28,29)24-25(27-14-16-30-17-15-27)31-23(26-24)22-9-5-7-19-6-3-4-8-21(19)22/h3-13H,2,14-17H2,1H3
InChIKeyNVKQPENIGTXYBB-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.73
Rot. Bonds5

About 4-[4-(4-ethylphenyl)sulfonyl-2-naphthalen-1-yl-1,3-oxazol-5-yl]morpholine

4-[4-(4-ethylphenyl)sulfonyl-2-naphthalen-1-yl-1,3-oxazol-5-yl]morpholine (PubChem CID 18890424) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is 4-[4-(4-ethylphenyl)sulfonyl-2-naphthalen-1-yl-1,3-oxazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-ethylphenyl)sulfonyl-2-naphthalen-1-yl-1,3-oxazol-5-yl]morpholine
PubChem CID18890424
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC Name4-[4-(4-ethylphenyl)sulfonyl-2-naphthalen-1-yl-1,3-oxazol-5-yl]morpholine
SMILESCCc1ccc(S(=O)(=O)c2nc(-c3cccc4ccccc34)oc2N2CCOCC2)cc1
InChIInChI=1S/C25H24N2O4S/c1-2-18-10-12-20(13-11-18)32(28,29)24-25(27-14-16-30-17-15-27)31-23(26-24)22-9-5-7-19-6-3-4-8-21(19)22/h3-13H,2,14-17H2,1H3
InChIKeyNVKQPENIGTXYBB-UHFFFAOYSA-N
XLogP4.73
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethylphenyl)sulfonyl-2-naphthalen-1-yl-1,3-oxazol-5-yl]morpholine?
The IUPAC name of 4-[4-(4-ethylphenyl)sulfonyl-2-naphthalen-1-yl-1,3-oxazol-5-yl]morpholine (CID 18890424) is 4-[4-(4-ethylphenyl)sulfonyl-2-naphthalen-1-yl-1,3-oxazol-5-yl]morpholine.
What is the SMILES notation for 4-[4-(4-ethylphenyl)sulfonyl-2-naphthalen-1-yl-1,3-oxazol-5-yl]morpholine?
The canonical SMILES for 4-[4-(4-ethylphenyl)sulfonyl-2-naphthalen-1-yl-1,3-oxazol-5-yl]morpholine is CCc1ccc(S(=O)(=O)c2nc(-c3cccc4ccccc34)oc2N2CCOCC2)cc1.
What is the InChIKey of 4-[4-(4-ethylphenyl)sulfonyl-2-naphthalen-1-yl-1,3-oxazol-5-yl]morpholine?
The InChIKey is NVKQPENIGTXYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4S/c1-2-18-10-12-20(13-11-18)32(28,29)24-25(27-14-16-30-17-15-27)31-23(26-24)22-9-5-7-19-6-3-4-8-21(19)22/h3-13H,2,14-17H2,1H3.
What are the key properties of 4-[4-(4-ethylphenyl)sulfonyl-2-naphthalen-1-yl-1,3-oxazol-5-yl]morpholine?
4-[4-(4-ethylphenyl)sulfonyl-2-naphthalen-1-yl-1,3-oxazol-5-yl]morpholine has a molecular weight of 448.54 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethylphenyl)sulfonyl-2-naphthalen-1-yl-1,3-oxazol-5-yl]morpholine is sourced from PubChem (CID 18890424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).