2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopentylacetamide

C18H21ClN2O2S — CID 6622102

IUPAC2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopentylacetamide
SMILESCc1oc(-c2ccccc2Cl)nc1CSCC(=O)NC1CCCC1
InChIInChI=1S/C18H21ClN2O2S/c1-12-16(10-24-11-17(22)20-13-6-2-3-7-13)21-18(23-12)14-8-4-5-9-15(14)19/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3,(H,20,22)
InChIKeyAGBJXOVRVBYBFA-UHFFFAOYSA-N
MW364.90 g/mol
LogP4.60
Rot. Bonds6

About 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopentylacetamide

2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopentylacetamide (PubChem CID 6622102) has the molecular formula C18H21ClN2O2S and a molecular weight of 364.90 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopentylacetamide
PubChem CID6622102
Molecular FormulaC18H21ClN2O2S
Molecular Weight364.90 g/mol
Exact Mass364.10
IUPAC Name2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopentylacetamide
SMILESCc1oc(-c2ccccc2Cl)nc1CSCC(=O)NC1CCCC1
InChIInChI=1S/C18H21ClN2O2S/c1-12-16(10-24-11-17(22)20-13-6-2-3-7-13)21-18(23-12)14-8-4-5-9-15(14)19/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3,(H,20,22)
InChIKeyAGBJXOVRVBYBFA-UHFFFAOYSA-N
XLogP4.60
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopentylacetamide?
The IUPAC name of 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopentylacetamide (CID 6622102) is 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopentylacetamide is Cc1oc(-c2ccccc2Cl)nc1CSCC(=O)NC1CCCC1.
What is the InChIKey of 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopentylacetamide?
The InChIKey is AGBJXOVRVBYBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2S/c1-12-16(10-24-11-17(22)20-13-6-2-3-7-13)21-18(23-12)14-8-4-5-9-15(14)19/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3,(H,20,22).
What are the key properties of 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopentylacetamide?
2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopentylacetamide has a molecular weight of 364.90 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopentylacetamide is sourced from PubChem (CID 6622102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).