N-[(1S)-1-(furan-2-yl)-2,2-dimethylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide

C13H18N2O4S — CID 97318390

IUPACN-[(1S)-1-(furan-2-yl)-2,2-dimethylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCC(C)(C)[C@H](NS(=O)(=O)Cc1ccon1)c1ccco1
InChIInChI=1S/C13H18N2O4S/c1-13(2,3)12(11-5-4-7-18-11)15-20(16,17)9-10-6-8-19-14-10/h4-8,12,15H,9H2,1-3H3/t12-/m1/s1
InChIKeyLWSXFLCMFYAETB-GFCCVEGCSA-N
MW298.36 g/mol
LogP2.47
Rot. Bonds5

About N-[(1S)-1-(furan-2-yl)-2,2-dimethylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide

N-[(1S)-1-(furan-2-yl)-2,2-dimethylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 97318390) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)-2,2-dimethylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)-2,2-dimethylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
PubChem CID97318390
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-[(1S)-1-(furan-2-yl)-2,2-dimethylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCC(C)(C)[C@H](NS(=O)(=O)Cc1ccon1)c1ccco1
InChIInChI=1S/C13H18N2O4S/c1-13(2,3)12(11-5-4-7-18-11)15-20(16,17)9-10-6-8-19-14-10/h4-8,12,15H,9H2,1-3H3/t12-/m1/s1
InChIKeyLWSXFLCMFYAETB-GFCCVEGCSA-N
XLogP2.47
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-(furan-2-yl)-2,2-dimethylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide 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-[(1S)-1-(furan-2-yl)-2,2-dimethylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-[(1S)-1-(furan-2-yl)-2,2-dimethylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide (CID 97318390) is N-[(1S)-1-(furan-2-yl)-2,2-dimethylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)-2,2-dimethylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)-2,2-dimethylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide is CC(C)(C)[C@H](NS(=O)(=O)Cc1ccon1)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)-2,2-dimethylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is LWSXFLCMFYAETB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-13(2,3)12(11-5-4-7-18-11)15-20(16,17)9-10-6-8-19-14-10/h4-8,12,15H,9H2,1-3H3/t12-/m1/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)-2,2-dimethylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
N-[(1S)-1-(furan-2-yl)-2,2-dimethylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 298.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)-2,2-dimethylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 97318390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).