4-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)oxane-4-carboxamide

C16H17FN2O5S — CID 99813382

IUPAC4-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)oxane-4-carboxamide
SMILESO=C(NS(=O)(=O)Cc1ccon1)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C16H17FN2O5S/c17-13-3-1-2-12(10-13)16(5-8-23-9-6-16)15(20)19-25(21,22)11-14-4-7-24-18-14/h1-4,7,10H,5-6,8-9,11H2,(H,19,20)
InChIKeyFFXSOUYQXVGSQJ-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.51
Rot. Bonds5

About 4-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)oxane-4-carboxamide

4-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)oxane-4-carboxamide (PubChem CID 99813382) has the molecular formula C16H17FN2O5S and a molecular weight of 368.39 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)oxane-4-carboxamide
PubChem CID99813382
Molecular FormulaC16H17FN2O5S
Molecular Weight368.39 g/mol
Exact Mass368.08
IUPAC Name4-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)oxane-4-carboxamide
SMILESO=C(NS(=O)(=O)Cc1ccon1)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C16H17FN2O5S/c17-13-3-1-2-12(10-13)16(5-8-23-9-6-16)15(20)19-25(21,22)11-14-4-7-24-18-14/h1-4,7,10H,5-6,8-9,11H2,(H,19,20)
InChIKeyFFXSOUYQXVGSQJ-UHFFFAOYSA-N
XLogP1.51
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)oxane-4-carboxamide?
The IUPAC name of 4-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)oxane-4-carboxamide (CID 99813382) is 4-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)oxane-4-carboxamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)oxane-4-carboxamide is O=C(NS(=O)(=O)Cc1ccon1)C1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of 4-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)oxane-4-carboxamide?
The InChIKey is FFXSOUYQXVGSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O5S/c17-13-3-1-2-12(10-13)16(5-8-23-9-6-16)15(20)19-25(21,22)11-14-4-7-24-18-14/h1-4,7,10H,5-6,8-9,11H2,(H,19,20).
What are the key properties of 4-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)oxane-4-carboxamide?
4-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)oxane-4-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)oxane-4-carboxamide is sourced from PubChem (CID 99813382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).