(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate

C17H19FN2O6S — CID 3984904

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
SMILESCc1noc(C)c1COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C17H19FN2O6S/c1-11-15(12(2)26-19-11)10-25-17(21)14-9-13(3-4-16(14)18)27(22,23)20-5-7-24-8-6-20/h3-4,9H,5-8,10H2,1-2H3
InChIKeyCZNRFGZQTYUHGH-UHFFFAOYSA-N
MW398.41 g/mol
LogP1.81
Rot. Bonds5

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 3984904) has the molecular formula C17H19FN2O6S and a molecular weight of 398.41 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
PubChem CID3984904
Molecular FormulaC17H19FN2O6S
Molecular Weight398.41 g/mol
Exact Mass398.09
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
SMILESCc1noc(C)c1COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C17H19FN2O6S/c1-11-15(12(2)26-19-11)10-25-17(21)14-9-13(3-4-16(14)18)27(22,23)20-5-7-24-8-6-20/h3-4,9H,5-8,10H2,1-2H3
InChIKeyCZNRFGZQTYUHGH-UHFFFAOYSA-N
XLogP1.81
TPSA98.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate (CID 3984904) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate is Cc1noc(C)c1COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is CZNRFGZQTYUHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O6S/c1-11-15(12(2)26-19-11)10-25-17(21)14-9-13(3-4-16(14)18)27(22,23)20-5-7-24-8-6-20/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 398.41 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 3984904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).