N-[(1S,3S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide

C17H21FN2O3S — CID 56774059

IUPACN-[(1S,3S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide
SMILESCC1(C)[C@H](Cc2cc(-c3ccc(F)cc3)on2)C[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C17H21FN2O3S/c1-17(2)12(9-16(17)20-24(3,21)22)8-14-10-15(23-19-14)11-4-6-13(18)7-5-11/h4-7,10,12,16,20H,8-9H2,1-3H3/t12-,16+/m1/s1
InChIKeyBRTZZQLAJGVDJU-WBMJQRKESA-N
MW352.43 g/mol
LogP2.99
Rot. Bonds5

About N-[(1S,3S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide

N-[(1S,3S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide (PubChem CID 56774059) has the molecular formula C17H21FN2O3S and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(1S,3S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide
PubChem CID56774059
Molecular FormulaC17H21FN2O3S
Molecular Weight352.43 g/mol
Exact Mass352.13
IUPAC NameN-[(1S,3S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide
SMILESCC1(C)[C@H](Cc2cc(-c3ccc(F)cc3)on2)C[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C17H21FN2O3S/c1-17(2)12(9-16(17)20-24(3,21)22)8-14-10-15(23-19-14)11-4-6-13(18)7-5-11/h4-7,10,12,16,20H,8-9H2,1-3H3/t12-,16+/m1/s1
InChIKeyBRTZZQLAJGVDJU-WBMJQRKESA-N
XLogP2.99
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S,3S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]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,3S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide?
The IUPAC name of N-[(1S,3S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide (CID 56774059) is N-[(1S,3S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide.
What is the SMILES notation for N-[(1S,3S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide?
The canonical SMILES for N-[(1S,3S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide is CC1(C)[C@H](Cc2cc(-c3ccc(F)cc3)on2)C[C@@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(1S,3S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide?
The InChIKey is BRTZZQLAJGVDJU-WBMJQRKESA-N. The full InChI is InChI=1S/C17H21FN2O3S/c1-17(2)12(9-16(17)20-24(3,21)22)8-14-10-15(23-19-14)11-4-6-13(18)7-5-11/h4-7,10,12,16,20H,8-9H2,1-3H3/t12-,16+/m1/s1.
What are the key properties of N-[(1S,3S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide?
N-[(1S,3S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide has a molecular weight of 352.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide is sourced from PubChem (CID 56774059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).