N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide

C9H16N2O3S — CID 110660420

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1ncc(C)o1
InChIInChI=1S/C9H16N2O3S/c1-3-4-5-15(12,13)11-7-9-10-6-8(2)14-9/h6,11H,3-5,7H2,1-2H3
InChIKeyXDZWUCWKFIAHGV-UHFFFAOYSA-N
MW232.30 g/mol
LogP1.20
Rot. Bonds6

About N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide

N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide (PubChem CID 110660420) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide
PubChem CID110660420
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1ncc(C)o1
InChIInChI=1S/C9H16N2O3S/c1-3-4-5-15(12,13)11-7-9-10-6-8(2)14-9/h6,11H,3-5,7H2,1-2H3
InChIKeyXDZWUCWKFIAHGV-UHFFFAOYSA-N
XLogP1.20
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide (CID 110660420) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCc1ncc(C)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide?
The InChIKey is XDZWUCWKFIAHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-3-4-5-15(12,13)11-7-9-10-6-8(2)14-9/h6,11H,3-5,7H2,1-2H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide has a molecular weight of 232.30 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 110660420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).