2-methyl-N-[3-[1-(oxan-2-yloxy)cyclopropyl]-1,2-oxazol-5-yl]-2-(4,4,4-trifluorobutylsulfonyl)propanamide

C19H27F3N2O6S — CID 45111037

IUPAC2-methyl-N-[3-[1-(oxan-2-yloxy)cyclopropyl]-1,2-oxazol-5-yl]-2-(4,4,4-trifluorobutylsulfonyl)propanamide
SMILESCC(C)(C(=O)Nc1cc(C2(OC3CCCCO3)CC2)no1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C19H27F3N2O6S/c1-17(2,31(26,27)11-5-7-19(20,21)22)16(25)23-14-12-13(24-30-14)18(8-9-18)29-15-6-3-4-10-28-15/h12,15H,3-11H2,1-2H3,(H,23,25)
InChIKeyQSOYVBSYGRJOSG-UHFFFAOYSA-N
MW468.49 g/mol
LogP3.68
Rot. Bonds9

About 2-methyl-N-[3-[1-(oxan-2-yloxy)cyclopropyl]-1,2-oxazol-5-yl]-2-(4,4,4-trifluorobutylsulfonyl)propanamide

2-methyl-N-[3-[1-(oxan-2-yloxy)cyclopropyl]-1,2-oxazol-5-yl]-2-(4,4,4-trifluorobutylsulfonyl)propanamide (PubChem CID 45111037) has the molecular formula C19H27F3N2O6S and a molecular weight of 468.49 g/mol. Its IUPAC name is 2-methyl-N-[3-[1-(oxan-2-yloxy)cyclopropyl]-1,2-oxazol-5-yl]-2-(4,4,4-trifluorobutylsulfonyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[1-(oxan-2-yloxy)cyclopropyl]-1,2-oxazol-5-yl]-2-(4,4,4-trifluorobutylsulfonyl)propanamide
PubChem CID45111037
Molecular FormulaC19H27F3N2O6S
Molecular Weight468.49 g/mol
Exact Mass468.15
IUPAC Name2-methyl-N-[3-[1-(oxan-2-yloxy)cyclopropyl]-1,2-oxazol-5-yl]-2-(4,4,4-trifluorobutylsulfonyl)propanamide
SMILESCC(C)(C(=O)Nc1cc(C2(OC3CCCCO3)CC2)no1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C19H27F3N2O6S/c1-17(2,31(26,27)11-5-7-19(20,21)22)16(25)23-14-12-13(24-30-14)18(8-9-18)29-15-6-3-4-10-28-15/h12,15H,3-11H2,1-2H3,(H,23,25)
InChIKeyQSOYVBSYGRJOSG-UHFFFAOYSA-N
XLogP3.68
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-[3-[1-(oxan-2-yloxy)cyclopropyl]-1,2-oxazol-5-yl]-2-(4,4,4-trifluorobutylsulfonyl)propanamide 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 2-methyl-N-[3-[1-(oxan-2-yloxy)cyclopropyl]-1,2-oxazol-5-yl]-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
The IUPAC name of 2-methyl-N-[3-[1-(oxan-2-yloxy)cyclopropyl]-1,2-oxazol-5-yl]-2-(4,4,4-trifluorobutylsulfonyl)propanamide (CID 45111037) is 2-methyl-N-[3-[1-(oxan-2-yloxy)cyclopropyl]-1,2-oxazol-5-yl]-2-(4,4,4-trifluorobutylsulfonyl)propanamide.
What is the SMILES notation for 2-methyl-N-[3-[1-(oxan-2-yloxy)cyclopropyl]-1,2-oxazol-5-yl]-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
The canonical SMILES for 2-methyl-N-[3-[1-(oxan-2-yloxy)cyclopropyl]-1,2-oxazol-5-yl]-2-(4,4,4-trifluorobutylsulfonyl)propanamide is CC(C)(C(=O)Nc1cc(C2(OC3CCCCO3)CC2)no1)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 2-methyl-N-[3-[1-(oxan-2-yloxy)cyclopropyl]-1,2-oxazol-5-yl]-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
The InChIKey is QSOYVBSYGRJOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O6S/c1-17(2,31(26,27)11-5-7-19(20,21)22)16(25)23-14-12-13(24-30-14)18(8-9-18)29-15-6-3-4-10-28-15/h12,15H,3-11H2,1-2H3,(H,23,25).
What are the key properties of 2-methyl-N-[3-[1-(oxan-2-yloxy)cyclopropyl]-1,2-oxazol-5-yl]-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
2-methyl-N-[3-[1-(oxan-2-yloxy)cyclopropyl]-1,2-oxazol-5-yl]-2-(4,4,4-trifluorobutylsulfonyl)propanamide has a molecular weight of 468.49 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[1-(oxan-2-yloxy)cyclopropyl]-1,2-oxazol-5-yl]-2-(4,4,4-trifluorobutylsulfonyl)propanamide is sourced from PubChem (CID 45111037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).