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

C6H10N2O3S — CID 110660417

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
SMILESCc1cnc(CNS(C)(=O)=O)o1
InChIInChI=1S/C6H10N2O3S/c1-5-3-7-6(11-5)4-8-12(2,9)10/h3,8H,4H2,1-2H3
InChIKeyVDRFMFOBTLFTAO-UHFFFAOYSA-N
MW190.22 g/mol
LogP0.03
Rot. Bonds3

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

N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide (PubChem CID 110660417) has the molecular formula C6H10N2O3S and a molecular weight of 190.22 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
PubChem CID110660417
Molecular FormulaC6H10N2O3S
Molecular Weight190.22 g/mol
Exact Mass190.04
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
SMILESCc1cnc(CNS(C)(=O)=O)o1
InChIInChI=1S/C6H10N2O3S/c1-5-3-7-6(11-5)4-8-12(2,9)10/h3,8H,4H2,1-2H3
InChIKeyVDRFMFOBTLFTAO-UHFFFAOYSA-N
XLogP0.03
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.03
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]methanesulfonamide?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide (CID 110660417) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide is Cc1cnc(CNS(C)(=O)=O)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide?
The InChIKey is VDRFMFOBTLFTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3S/c1-5-3-7-6(11-5)4-8-12(2,9)10/h3,8H,4H2,1-2H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide has a molecular weight of 190.22 g/mol, XLogP of 0.03, 3 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]methanesulfonamide is sourced from PubChem (CID 110660417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).