2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide

C20H25FN2O2S — CID 86994815

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide
SMILESCc1noc(C)c1CSCC(=O)NCC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C20H25FN2O2S/c1-14-18(15(2)25-23-14)11-26-12-19(24)22-13-20(9-3-4-10-20)16-5-7-17(21)8-6-16/h5-8H,3-4,9-13H2,1-2H3,(H,22,24)
InChIKeyFWKYNGXRXBJENX-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.29
Rot. Bonds7

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide (PubChem CID 86994815) has the molecular formula C20H25FN2O2S and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide
PubChem CID86994815
Molecular FormulaC20H25FN2O2S
Molecular Weight376.50 g/mol
Exact Mass376.16
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide
SMILESCc1noc(C)c1CSCC(=O)NCC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C20H25FN2O2S/c1-14-18(15(2)25-23-14)11-26-12-19(24)22-13-20(9-3-4-10-20)16-5-7-17(21)8-6-16/h5-8H,3-4,9-13H2,1-2H3,(H,22,24)
InChIKeyFWKYNGXRXBJENX-UHFFFAOYSA-N
XLogP4.29
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide with MolForge

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide
CID 60513656
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-ethylacetamide
CID 60623814
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 47935438
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-methyl-2H-triazole-4-carboxamide
CID 122559279
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-ethyl-N-(4-fluorophenyl)acetamide
CID 86906521
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 47042281
N-[(2R)-2-(3,4-difluorophenyl)propyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 99812186
N-[4-(1-adamantyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 4837830
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 55527623
N-[2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]ethyl]cyclopropanecarboxamide
CID 51152967
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55745995
3-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-2-methylpropanoic acid
CID 62674245

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide (CID 86994815) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide is Cc1noc(C)c1CSCC(=O)NCC1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide?
The InChIKey is FWKYNGXRXBJENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2S/c1-14-18(15(2)25-23-14)11-26-12-19(24)22-13-20(9-3-4-10-20)16-5-7-17(21)8-6-16/h5-8H,3-4,9-13H2,1-2H3,(H,22,24).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide has a molecular weight of 376.50 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide is sourced from PubChem (CID 86994815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).