N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide

C16H17FN2O4S — CID 16942401

IUPACN-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide
SMILESO=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1onc2c1CCC2
InChIInChI=1S/C16H17FN2O4S/c17-11-6-8-12(9-7-11)24(21,22)10-2-5-15(20)18-16-13-3-1-4-14(13)19-23-16/h6-9H,1-5,10H2,(H,18,20)
InChIKeyIEYPNNWNKLBLMA-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.49
Rot. Bonds6

About N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide

N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide (PubChem CID 16942401) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide
PubChem CID16942401
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide
SMILESO=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1onc2c1CCC2
InChIInChI=1S/C16H17FN2O4S/c17-11-6-8-12(9-7-11)24(21,22)10-2-5-15(20)18-16-13-3-1-4-14(13)19-23-16/h6-9H,1-5,10H2,(H,18,20)
InChIKeyIEYPNNWNKLBLMA-UHFFFAOYSA-N
XLogP2.49
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide (CID 16942401) is N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide is O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1onc2c1CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide?
The InChIKey is IEYPNNWNKLBLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c17-11-6-8-12(9-7-11)24(21,22)10-2-5-15(20)18-16-13-3-1-4-14(13)19-23-16/h6-9H,1-5,10H2,(H,18,20).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide?
N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide has a molecular weight of 352.39 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide is sourced from PubChem (CID 16942401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).