5-[4-cyano-5-(dimethylamino)-1,3-oxazol-2-yl]-N-methyl-N-phenylfuran-2-sulfonamide

C17H16N4O4S — CID 56762398

IUPAC5-[4-cyano-5-(dimethylamino)-1,3-oxazol-2-yl]-N-methyl-N-phenylfuran-2-sulfonamide
SMILESCN(C)c1oc(-c2ccc(S(=O)(=O)N(C)c3ccccc3)o2)nc1C#N
InChIInChI=1S/C17H16N4O4S/c1-20(2)17-13(11-18)19-16(25-17)14-9-10-15(24-14)26(22,23)21(3)12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKeyVWRJANMXMCNMPW-UHFFFAOYSA-N
MW372.41 g/mol
LogP2.70
Rot. Bonds5

About 5-[4-cyano-5-(dimethylamino)-1,3-oxazol-2-yl]-N-methyl-N-phenylfuran-2-sulfonamide

5-[4-cyano-5-(dimethylamino)-1,3-oxazol-2-yl]-N-methyl-N-phenylfuran-2-sulfonamide (PubChem CID 56762398) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is 5-[4-cyano-5-(dimethylamino)-1,3-oxazol-2-yl]-N-methyl-N-phenylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[4-cyano-5-(dimethylamino)-1,3-oxazol-2-yl]-N-methyl-N-phenylfuran-2-sulfonamide
PubChem CID56762398
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC Name5-[4-cyano-5-(dimethylamino)-1,3-oxazol-2-yl]-N-methyl-N-phenylfuran-2-sulfonamide
SMILESCN(C)c1oc(-c2ccc(S(=O)(=O)N(C)c3ccccc3)o2)nc1C#N
InChIInChI=1S/C17H16N4O4S/c1-20(2)17-13(11-18)19-16(25-17)14-9-10-15(24-14)26(22,23)21(3)12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKeyVWRJANMXMCNMPW-UHFFFAOYSA-N
XLogP2.70
TPSA103.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-cyano-5-(dimethylamino)-1,3-oxazol-2-yl]-N-methyl-N-phenylfuran-2-sulfonamide?
The IUPAC name of 5-[4-cyano-5-(dimethylamino)-1,3-oxazol-2-yl]-N-methyl-N-phenylfuran-2-sulfonamide (CID 56762398) is 5-[4-cyano-5-(dimethylamino)-1,3-oxazol-2-yl]-N-methyl-N-phenylfuran-2-sulfonamide.
What is the SMILES notation for 5-[4-cyano-5-(dimethylamino)-1,3-oxazol-2-yl]-N-methyl-N-phenylfuran-2-sulfonamide?
The canonical SMILES for 5-[4-cyano-5-(dimethylamino)-1,3-oxazol-2-yl]-N-methyl-N-phenylfuran-2-sulfonamide is CN(C)c1oc(-c2ccc(S(=O)(=O)N(C)c3ccccc3)o2)nc1C#N.
What is the InChIKey of 5-[4-cyano-5-(dimethylamino)-1,3-oxazol-2-yl]-N-methyl-N-phenylfuran-2-sulfonamide?
The InChIKey is VWRJANMXMCNMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-20(2)17-13(11-18)19-16(25-17)14-9-10-15(24-14)26(22,23)21(3)12-7-5-4-6-8-12/h4-10H,1-3H3.
What are the key properties of 5-[4-cyano-5-(dimethylamino)-1,3-oxazol-2-yl]-N-methyl-N-phenylfuran-2-sulfonamide?
5-[4-cyano-5-(dimethylamino)-1,3-oxazol-2-yl]-N-methyl-N-phenylfuran-2-sulfonamide has a molecular weight of 372.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-cyano-5-(dimethylamino)-1,3-oxazol-2-yl]-N-methyl-N-phenylfuran-2-sulfonamide is sourced from PubChem (CID 56762398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).