2-(1,3-benzoxazol-2-ylsulfanyl)-N-hexylacetamide

C15H20N2O2S — CID 51156174

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-hexylacetamide
SMILESCCCCCCNC(=O)CSc1nc2ccccc2o1
InChIInChI=1S/C15H20N2O2S/c1-2-3-4-7-10-16-14(18)11-20-15-17-12-8-5-6-9-13(12)19-15/h5-6,8-9H,2-4,7,10-11H2,1H3,(H,16,18)
InChIKeyXTUWQMGHIDAMRD-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.62
Rot. Bonds8

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-hexylacetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-hexylacetamide (PubChem CID 51156174) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-hexylacetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-hexylacetamide
PubChem CID51156174
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-hexylacetamide
SMILESCCCCCCNC(=O)CSc1nc2ccccc2o1
InChIInChI=1S/C15H20N2O2S/c1-2-3-4-7-10-16-14(18)11-20-15-17-12-8-5-6-9-13(12)19-15/h5-6,8-9H,2-4,7,10-11H2,1H3,(H,16,18)
InChIKeyXTUWQMGHIDAMRD-UHFFFAOYSA-N
XLogP3.62
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-hydroxypentyl)acetamide
CID 107319253
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-hydroxypropyl)acetamide
CID 5128603
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-hydroxypentyl)acetamide
CID 107300487
2-(1,3-benzoxazol-2-ylsulfanyl)-N-pentan-3-ylacetamide
CID 2693066
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 24644607
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2586084
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 26463191
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-propylacetamide
CID 17422877
4-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-methylbutanoic acid
CID 81064879
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751340
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide
CID 86901787
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121120797

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-hexylacetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-hexylacetamide (CID 51156174) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-hexylacetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-hexylacetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-hexylacetamide is CCCCCCNC(=O)CSc1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-hexylacetamide?
The InChIKey is XTUWQMGHIDAMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-2-3-4-7-10-16-14(18)11-20-15-17-12-8-5-6-9-13(12)19-15/h5-6,8-9H,2-4,7,10-11H2,1H3,(H,16,18).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-hexylacetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-hexylacetamide has a molecular weight of 292.40 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-hexylacetamide is sourced from PubChem (CID 51156174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).