N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]butane-1-sulfonamide

C18H24N4O5S — CID 54541927

IUPACN-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C)CC1CN(c2ccc(-c3noc(C)n3)cc2)C(=O)O1
InChIInChI=1S/C18H24N4O5S/c1-4-5-10-28(24,25)21(3)11-16-12-22(18(23)26-16)15-8-6-14(7-9-15)17-19-13(2)27-20-17/h6-9,16H,4-5,10-12H2,1-3H3
InChIKeyZDVABCQFOXLNNS-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.43
Rot. Bonds8

About N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]butane-1-sulfonamide

N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]butane-1-sulfonamide (PubChem CID 54541927) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]butane-1-sulfonamide
PubChem CID54541927
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC NameN-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C)CC1CN(c2ccc(-c3noc(C)n3)cc2)C(=O)O1
InChIInChI=1S/C18H24N4O5S/c1-4-5-10-28(24,25)21(3)11-16-12-22(18(23)26-16)15-8-6-14(7-9-15)17-19-13(2)27-20-17/h6-9,16H,4-5,10-12H2,1-3H3
InChIKeyZDVABCQFOXLNNS-UHFFFAOYSA-N
XLogP2.43
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]butane-1-sulfonamide?
The IUPAC name of N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]butane-1-sulfonamide (CID 54541927) is N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]butane-1-sulfonamide.
What is the SMILES notation for N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]butane-1-sulfonamide?
The canonical SMILES for N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]butane-1-sulfonamide is CCCCS(=O)(=O)N(C)CC1CN(c2ccc(-c3noc(C)n3)cc2)C(=O)O1.
What is the InChIKey of N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]butane-1-sulfonamide?
The InChIKey is ZDVABCQFOXLNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S/c1-4-5-10-28(24,25)21(3)11-16-12-22(18(23)26-16)15-8-6-14(7-9-15)17-19-13(2)27-20-17/h6-9,16H,4-5,10-12H2,1-3H3.
What are the key properties of N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]butane-1-sulfonamide?
N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]butane-1-sulfonamide has a molecular weight of 408.48 g/mol, XLogP of 2.43, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]butane-1-sulfonamide is sourced from PubChem (CID 54541927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).