N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-N-propan-2-ylmethanesulfonamide

C15H19ClN2O3S — CID 154741999

IUPACN-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-N-propan-2-ylmethanesulfonamide
SMILESCc1nc(CN(C(C)C)S(C)(=O)=O)oc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O3S/c1-10(2)18(22(4,19)20)9-14-17-11(3)15(21-14)12-5-7-13(16)8-6-12/h5-8,10H,9H2,1-4H3
InChIKeyVGKPRFZQWYATEL-UHFFFAOYSA-N
MW342.85 g/mol
LogP3.47
Rot. Bonds5

About N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-N-propan-2-ylmethanesulfonamide

N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-N-propan-2-ylmethanesulfonamide (PubChem CID 154741999) has the molecular formula C15H19ClN2O3S and a molecular weight of 342.85 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-N-propan-2-ylmethanesulfonamide
PubChem CID154741999
Molecular FormulaC15H19ClN2O3S
Molecular Weight342.85 g/mol
Exact Mass342.08
IUPAC NameN-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-N-propan-2-ylmethanesulfonamide
SMILESCc1nc(CN(C(C)C)S(C)(=O)=O)oc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O3S/c1-10(2)18(22(4,19)20)9-14-17-11(3)15(21-14)12-5-7-13(16)8-6-12/h5-8,10H,9H2,1-4H3
InChIKeyVGKPRFZQWYATEL-UHFFFAOYSA-N
XLogP3.47
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-N-propan-2-ylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-N-propan-2-ylmethanesulfonamide (CID 154741999) is N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-N-propan-2-ylmethanesulfonamide is Cc1nc(CN(C(C)C)S(C)(=O)=O)oc1-c1ccc(Cl)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-N-propan-2-ylmethanesulfonamide?
The InChIKey is VGKPRFZQWYATEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3S/c1-10(2)18(22(4,19)20)9-14-17-11(3)15(21-14)12-5-7-13(16)8-6-12/h5-8,10H,9H2,1-4H3.
What are the key properties of N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-N-propan-2-ylmethanesulfonamide?
N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-N-propan-2-ylmethanesulfonamide has a molecular weight of 342.85 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 154741999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).