2-(oxolan-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide

C16H20N2O4S — CID 71969884

IUPAC2-(oxolan-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide
SMILESO=S(=O)(CCC1CCCO1)NCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C16H20N2O4S/c19-23(20,10-8-14-7-4-9-21-14)18-12-16-17-11-15(22-16)13-5-2-1-3-6-13/h1-3,5-6,11,14,18H,4,7-10,12H2
InChIKeyZAGHXYBRBJJUTQ-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.33
Rot. Bonds7

About 2-(oxolan-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide

2-(oxolan-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide (PubChem CID 71969884) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(oxolan-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide
PubChem CID71969884
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name2-(oxolan-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide
SMILESO=S(=O)(CCC1CCCO1)NCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C16H20N2O4S/c19-23(20,10-8-14-7-4-9-21-14)18-12-16-17-11-15(22-16)13-5-2-1-3-6-13/h1-3,5-6,11,14,18H,4,7-10,12H2
InChIKeyZAGHXYBRBJJUTQ-UHFFFAOYSA-N
XLogP2.33
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-(oxolan-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide (CID 71969884) is 2-(oxolan-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-(oxolan-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-(oxolan-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide is O=S(=O)(CCC1CCCO1)NCc1ncc(-c2ccccc2)o1.
What is the InChIKey of 2-(oxolan-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide?
The InChIKey is ZAGHXYBRBJJUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c19-23(20,10-8-14-7-4-9-21-14)18-12-16-17-11-15(22-16)13-5-2-1-3-6-13/h1-3,5-6,11,14,18H,4,7-10,12H2.
What are the key properties of 2-(oxolan-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide?
2-(oxolan-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide has a molecular weight of 336.41 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 71969884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).