[(6R)-6-(4-methylsulfonylphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone

C16H18N2O6S — CID 75367693

IUPAC[(6R)-6-(4-methylsulfonylphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone
SMILESCS(=O)(=O)c1ccc(O[C@H]2COCCN(C(=O)c3ccno3)C2)cc1
InChIInChI=1S/C16H18N2O6S/c1-25(20,21)14-4-2-12(3-5-14)23-13-10-18(8-9-22-11-13)16(19)15-6-7-17-24-15/h2-7,13H,8-11H2,1H3/t13-/m1/s1
InChIKeyPFCSZJRFZVJOBQ-CYBMUJFWSA-N
MW366.40 g/mol
LogP1.00
Rot. Bonds4

About [(6R)-6-(4-methylsulfonylphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone

[(6R)-6-(4-methylsulfonylphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 75367693) has the molecular formula C16H18N2O6S and a molecular weight of 366.40 g/mol. Its IUPAC name is [(6R)-6-(4-methylsulfonylphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(6R)-6-(4-methylsulfonylphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID75367693
Molecular FormulaC16H18N2O6S
Molecular Weight366.40 g/mol
Exact Mass366.09
IUPAC Name[(6R)-6-(4-methylsulfonylphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone
SMILESCS(=O)(=O)c1ccc(O[C@H]2COCCN(C(=O)c3ccno3)C2)cc1
InChIInChI=1S/C16H18N2O6S/c1-25(20,21)14-4-2-12(3-5-14)23-13-10-18(8-9-22-11-13)16(19)15-6-7-17-24-15/h2-7,13H,8-11H2,1H3/t13-/m1/s1
InChIKeyPFCSZJRFZVJOBQ-CYBMUJFWSA-N
XLogP1.00
TPSA98.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(6R)-6-(4-methylsulfonylphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [(6R)-6-(4-methylsulfonylphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone (CID 75367693) is [(6R)-6-(4-methylsulfonylphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [(6R)-6-(4-methylsulfonylphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [(6R)-6-(4-methylsulfonylphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone is CS(=O)(=O)c1ccc(O[C@H]2COCCN(C(=O)c3ccno3)C2)cc1.
What is the InChIKey of [(6R)-6-(4-methylsulfonylphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is PFCSZJRFZVJOBQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N2O6S/c1-25(20,21)14-4-2-12(3-5-14)23-13-10-18(8-9-22-11-13)16(19)15-6-7-17-24-15/h2-7,13H,8-11H2,1H3/t13-/m1/s1.
What are the key properties of [(6R)-6-(4-methylsulfonylphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone?
[(6R)-6-(4-methylsulfonylphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 366.40 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-(4-methylsulfonylphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 75367693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).