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

C18H21ClN2O3S — CID 20860468

IUPAC2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclopentylacetamide
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CS(=O)CC(=O)NC1CCCC1
InChIInChI=1S/C18H21ClN2O3S/c1-12-16(21-18(24-12)13-6-8-14(19)9-7-13)10-25(23)11-17(22)20-15-4-2-3-5-15/h6-9,15H,2-5,10-11H2,1H3,(H,20,22)
InChIKeyAMNJKQGHJJDIFI-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.61
Rot. Bonds6

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

2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclopentylacetamide (PubChem CID 20860468) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclopentylacetamide
PubChem CID20860468
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclopentylacetamide
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CS(=O)CC(=O)NC1CCCC1
InChIInChI=1S/C18H21ClN2O3S/c1-12-16(21-18(24-12)13-6-8-14(19)9-7-13)10-25(23)11-17(22)20-15-4-2-3-5-15/h6-9,15H,2-5,10-11H2,1H3,(H,20,22)
InChIKeyAMNJKQGHJJDIFI-UHFFFAOYSA-N
XLogP3.61
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclopentylacetamide?
The IUPAC name of 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclopentylacetamide (CID 20860468) is 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclopentylacetamide is Cc1oc(-c2ccc(Cl)cc2)nc1CS(=O)CC(=O)NC1CCCC1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclopentylacetamide?
The InChIKey is AMNJKQGHJJDIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-12-16(21-18(24-12)13-6-8-14(19)9-7-13)10-25(23)11-17(22)20-15-4-2-3-5-15/h6-9,15H,2-5,10-11H2,1H3,(H,20,22).
What are the key properties of 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclopentylacetamide?
2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclopentylacetamide has a molecular weight of 380.90 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclopentylacetamide is sourced from PubChem (CID 20860468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).