5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)furan-2-sulfonamide

C16H20N4O4S — CID 131910232

IUPAC5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)furan-2-sulfonamide
SMILESCCN(CCn1cccn1)S(=O)(=O)c1ccc(-c2onc(C)c2C)o1
InChIInChI=1S/C16H20N4O4S/c1-4-20(11-10-19-9-5-8-17-19)25(21,22)15-7-6-14(23-15)16-12(2)13(3)18-24-16/h5-9H,4,10-11H2,1-3H3
InChIKeyKTTKBEUOOKHBGK-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.46
Rot. Bonds7

About 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)furan-2-sulfonamide

5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)furan-2-sulfonamide (PubChem CID 131910232) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)furan-2-sulfonamide
PubChem CID131910232
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)furan-2-sulfonamide
SMILESCCN(CCn1cccn1)S(=O)(=O)c1ccc(-c2onc(C)c2C)o1
InChIInChI=1S/C16H20N4O4S/c1-4-20(11-10-19-9-5-8-17-19)25(21,22)15-7-6-14(23-15)16-12(2)13(3)18-24-16/h5-9H,4,10-11H2,1-3H3
InChIKeyKTTKBEUOOKHBGK-UHFFFAOYSA-N
XLogP2.46
TPSA94.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)furan-2-sulfonamide?
The IUPAC name of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)furan-2-sulfonamide (CID 131910232) is 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)furan-2-sulfonamide.
What is the SMILES notation for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)furan-2-sulfonamide?
The canonical SMILES for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)furan-2-sulfonamide is CCN(CCn1cccn1)S(=O)(=O)c1ccc(-c2onc(C)c2C)o1.
What is the InChIKey of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)furan-2-sulfonamide?
The InChIKey is KTTKBEUOOKHBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-4-20(11-10-19-9-5-8-17-19)25(21,22)15-7-6-14(23-15)16-12(2)13(3)18-24-16/h5-9H,4,10-11H2,1-3H3.
What are the key properties of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)furan-2-sulfonamide?
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)furan-2-sulfonamide has a molecular weight of 364.43 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)furan-2-sulfonamide is sourced from PubChem (CID 131910232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).