N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-ylsulfonyl)cyclobutane-1-carboxamide

C16H24N2O6S — CID 54770586

IUPACN-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-ylsulfonyl)cyclobutane-1-carboxamide
SMILESCC(C)(O)c1cc(NC(=O)C2(S(=O)(=O)C3CCOCC3)CCC2)on1
InChIInChI=1S/C16H24N2O6S/c1-15(2,20)12-10-13(24-18-12)17-14(19)16(6-3-7-16)25(21,22)11-4-8-23-9-5-11/h10-11,20H,3-9H2,1-2H3,(H,17,19)
InChIKeyNFBDBYHIJJBVMT-UHFFFAOYSA-N
MW372.44 g/mol
LogP1.36
Rot. Bonds5

About N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-ylsulfonyl)cyclobutane-1-carboxamide

N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-ylsulfonyl)cyclobutane-1-carboxamide (PubChem CID 54770586) has the molecular formula C16H24N2O6S and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-ylsulfonyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-ylsulfonyl)cyclobutane-1-carboxamide
PubChem CID54770586
Molecular FormulaC16H24N2O6S
Molecular Weight372.44 g/mol
Exact Mass372.14
IUPAC NameN-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-ylsulfonyl)cyclobutane-1-carboxamide
SMILESCC(C)(O)c1cc(NC(=O)C2(S(=O)(=O)C3CCOCC3)CCC2)on1
InChIInChI=1S/C16H24N2O6S/c1-15(2,20)12-10-13(24-18-12)17-14(19)16(6-3-7-16)25(21,22)11-4-8-23-9-5-11/h10-11,20H,3-9H2,1-2H3,(H,17,19)
InChIKeyNFBDBYHIJJBVMT-UHFFFAOYSA-N
XLogP1.36
TPSA118.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-ylsulfonyl)cyclobutane-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-methyl-2-(3-methylbutylsulfonyl)propanamide
CID 25003672
N-[3-(2-hydroxy-1,1-dimethyl-ethyl)-isoxazol-5-yl]-2-methyl-2-(tetrahydro-pyran-4-sulfonyl)-propionamide
CID 45256133
US10570125, Example 134
CID 56602551
Example 7 in WO2010036630
CID 132099916
Example 134 in WO2010036630
CID 132099917
N-[3-(2-hydroxy-1,1-dimethyl-ethyl)-isoxazol-5-yl]-2-methyl-2-(tetrahydro-pyran-4-ylmethanesulfonyl)-propionamide
CID 45256132
Example 133 in WO2010036630
CID 56602550
N-[3-(2-methoxy-1,1-dimethyl-ethyl)-isoxazol-5-yl]-2-methyl-2-(tetrahydro-pyran-4-ylmethanesulfonyl)-propionamide
CID 56602953
Example 38 in WO2010036630
CID 56603084
US10112934, Example 2
CID 86297382
US10112934, Example 3
CID 86297383
2-methyl-N-[3-[1-(oxan-2-yloxy)cyclopropyl]-1,2-oxazol-5-yl]-2-(4,4,4-trifluorobutylsulfonyl)propanamide
CID 45111037

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-ylsulfonyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-ylsulfonyl)cyclobutane-1-carboxamide (CID 54770586) is N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-ylsulfonyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-ylsulfonyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-ylsulfonyl)cyclobutane-1-carboxamide is CC(C)(O)c1cc(NC(=O)C2(S(=O)(=O)C3CCOCC3)CCC2)on1.
What is the InChIKey of N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-ylsulfonyl)cyclobutane-1-carboxamide?
The InChIKey is NFBDBYHIJJBVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6S/c1-15(2,20)12-10-13(24-18-12)17-14(19)16(6-3-7-16)25(21,22)11-4-8-23-9-5-11/h10-11,20H,3-9H2,1-2H3,(H,17,19).
What are the key properties of N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-ylsulfonyl)cyclobutane-1-carboxamide?
N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-ylsulfonyl)cyclobutane-1-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-ylsulfonyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 54770586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).