1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(2S)-1-(2,6-difluorophenoxy)propan-2-yl]methanesulfonamide

C16H18F2N2O4S — CID 167893382

IUPAC1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(2S)-1-(2,6-difluorophenoxy)propan-2-yl]methanesulfonamide
SMILESC[C@@H](COc1c(F)cccc1F)NS(=O)(=O)Cc1cc(C2CC2)on1
InChIInChI=1S/C16H18F2N2O4S/c1-10(8-23-16-13(17)3-2-4-14(16)18)20-25(21,22)9-12-7-15(24-19-12)11-5-6-11/h2-4,7,10-11,20H,5-6,8-9H2,1H3/t10-/m0/s1
InChIKeyKLHRLGFFCFIRPK-JTQLQIEISA-N
MW372.39 g/mol
LogP2.72
Rot. Bonds8

About 1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(2S)-1-(2,6-difluorophenoxy)propan-2-yl]methanesulfonamide

1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(2S)-1-(2,6-difluorophenoxy)propan-2-yl]methanesulfonamide (PubChem CID 167893382) has the molecular formula C16H18F2N2O4S and a molecular weight of 372.39 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(2S)-1-(2,6-difluorophenoxy)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(2S)-1-(2,6-difluorophenoxy)propan-2-yl]methanesulfonamide
PubChem CID167893382
Molecular FormulaC16H18F2N2O4S
Molecular Weight372.39 g/mol
Exact Mass372.10
IUPAC Name1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(2S)-1-(2,6-difluorophenoxy)propan-2-yl]methanesulfonamide
SMILESC[C@@H](COc1c(F)cccc1F)NS(=O)(=O)Cc1cc(C2CC2)on1
InChIInChI=1S/C16H18F2N2O4S/c1-10(8-23-16-13(17)3-2-4-14(16)18)20-25(21,22)9-12-7-15(24-19-12)11-5-6-11/h2-4,7,10-11,20H,5-6,8-9H2,1H3/t10-/m0/s1
InChIKeyKLHRLGFFCFIRPK-JTQLQIEISA-N
XLogP2.72
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(2S)-1-(2,6-difluorophenoxy)propan-2-yl]methanesulfonamide?
The IUPAC name of 1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(2S)-1-(2,6-difluorophenoxy)propan-2-yl]methanesulfonamide (CID 167893382) is 1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(2S)-1-(2,6-difluorophenoxy)propan-2-yl]methanesulfonamide.
What is the SMILES notation for 1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(2S)-1-(2,6-difluorophenoxy)propan-2-yl]methanesulfonamide?
The canonical SMILES for 1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(2S)-1-(2,6-difluorophenoxy)propan-2-yl]methanesulfonamide is C[C@@H](COc1c(F)cccc1F)NS(=O)(=O)Cc1cc(C2CC2)on1.
What is the InChIKey of 1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(2S)-1-(2,6-difluorophenoxy)propan-2-yl]methanesulfonamide?
The InChIKey is KLHRLGFFCFIRPK-JTQLQIEISA-N. The full InChI is InChI=1S/C16H18F2N2O4S/c1-10(8-23-16-13(17)3-2-4-14(16)18)20-25(21,22)9-12-7-15(24-19-12)11-5-6-11/h2-4,7,10-11,20H,5-6,8-9H2,1H3/t10-/m0/s1.
What are the key properties of 1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(2S)-1-(2,6-difluorophenoxy)propan-2-yl]methanesulfonamide?
1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(2S)-1-(2,6-difluorophenoxy)propan-2-yl]methanesulfonamide has a molecular weight of 372.39 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-[(2S)-1-(2,6-difluorophenoxy)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 167893382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).