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

C14H13FN2O2S — CID 16942366

IUPACN-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1onc2c1CCC2
InChIInChI=1S/C14H13FN2O2S/c15-9-4-6-10(7-5-9)20-8-13(18)16-14-11-2-1-3-12(11)17-19-14/h4-7H,1-3,8H2,(H,16,18)
InChIKeyWLXMIKJIDKRJMR-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.03
Rot. Bonds4

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

N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 16942366) has the molecular formula C14H13FN2O2S and a molecular weight of 292.33 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID16942366
Molecular FormulaC14H13FN2O2S
Molecular Weight292.33 g/mol
Exact Mass292.07
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1onc2c1CCC2
InChIInChI=1S/C14H13FN2O2S/c15-9-4-6-10(7-5-9)20-8-13(18)16-14-11-2-1-3-12(11)17-19-14/h4-7H,1-3,8H2,(H,16,18)
InChIKeyWLXMIKJIDKRJMR-UHFFFAOYSA-N
XLogP3.03
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide
CID 16942524
N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 16942407
N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide
CID 16942401
2-chloro-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide
CID 139801659
2-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 35357969
N-(2,6-difluorophenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 7284421
2-(4-fluorophenyl)sulfanyl-N-(2-iodophenyl)acetamide
CID 2704723
N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2194131
N-(2,5-difluorophenyl)-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide
CID 136684184
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
2-(4-fluorophenyl)sulfanyl-N-(1-methylpyrazol-3-yl)acetamide
CID 18152531

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide (CID 16942366) is N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide is O=C(CSc1ccc(F)cc1)Nc1onc2c1CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is WLXMIKJIDKRJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c15-9-4-6-10(7-5-9)20-8-13(18)16-14-11-2-1-3-12(11)17-19-14/h4-7H,1-3,8H2,(H,16,18).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide?
N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 292.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 16942366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).