N-cyclopentyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide

C12H18N2O3S — CID 56822256

IUPACN-cyclopentyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide
SMILESCc1cc(CS(=O)CC(=O)NC2CCCC2)no1
InChIInChI=1S/C12H18N2O3S/c1-9-6-11(14-17-9)7-18(16)8-12(15)13-10-4-2-3-5-10/h6,10H,2-5,7-8H2,1H3,(H,13,15)
InChIKeyBLJAZGYZKSYGGE-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.29
Rot. Bonds5

About N-cyclopentyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide

N-cyclopentyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide (PubChem CID 56822256) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-cyclopentyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide
PubChem CID56822256
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-cyclopentyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide
SMILESCc1cc(CS(=O)CC(=O)NC2CCCC2)no1
InChIInChI=1S/C12H18N2O3S/c1-9-6-11(14-17-9)7-18(16)8-12(15)13-10-4-2-3-5-10/h6,10H,2-5,7-8H2,1H3,(H,13,15)
InChIKeyBLJAZGYZKSYGGE-UHFFFAOYSA-N
XLogP1.29
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide (CID 56822256) is N-cyclopentyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide is Cc1cc(CS(=O)CC(=O)NC2CCCC2)no1.
What is the InChIKey of N-cyclopentyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide?
The InChIKey is BLJAZGYZKSYGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-6-11(14-17-9)7-18(16)8-12(15)13-10-4-2-3-5-10/h6,10H,2-5,7-8H2,1H3,(H,13,15).
What are the key properties of N-cyclopentyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide?
N-cyclopentyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide has a molecular weight of 270.35 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide is sourced from PubChem (CID 56822256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).