N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]oxane-4-carboxamide

C16H18N2O5S — CID 71882511

IUPACN-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]oxane-4-carboxamide
SMILESO=C(NS(=O)(=O)Cc1cc(-c2ccccc2)no1)C1CCOCC1
InChIInChI=1S/C16H18N2O5S/c19-16(13-6-8-22-9-7-13)18-24(20,21)11-14-10-15(17-23-14)12-4-2-1-3-5-12/h1-5,10,13H,6-9,11H2,(H,18,19)
InChIKeyAOJLFVXIIVBIAM-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.71
Rot. Bonds5

About N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]oxane-4-carboxamide

N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]oxane-4-carboxamide (PubChem CID 71882511) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]oxane-4-carboxamide
PubChem CID71882511
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC NameN-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]oxane-4-carboxamide
SMILESO=C(NS(=O)(=O)Cc1cc(-c2ccccc2)no1)C1CCOCC1
InChIInChI=1S/C16H18N2O5S/c19-16(13-6-8-22-9-7-13)18-24(20,21)11-14-10-15(17-23-14)12-4-2-1-3-5-12/h1-5,10,13H,6-9,11H2,(H,18,19)
InChIKeyAOJLFVXIIVBIAM-UHFFFAOYSA-N
XLogP1.71
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]oxane-4-carboxamide?
The IUPAC name of N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]oxane-4-carboxamide (CID 71882511) is N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]oxane-4-carboxamide?
The canonical SMILES for N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]oxane-4-carboxamide is O=C(NS(=O)(=O)Cc1cc(-c2ccccc2)no1)C1CCOCC1.
What is the InChIKey of N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]oxane-4-carboxamide?
The InChIKey is AOJLFVXIIVBIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c19-16(13-6-8-22-9-7-13)18-24(20,21)11-14-10-15(17-23-14)12-4-2-1-3-5-12/h1-5,10,13H,6-9,11H2,(H,18,19).
What are the key properties of N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]oxane-4-carboxamide?
N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]oxane-4-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]oxane-4-carboxamide is sourced from PubChem (CID 71882511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).