6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanoic acid

C10H15NO3S — CID 106920818

IUPAC6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanoic acid
SMILESCc1coc(SCCCCCC(=O)O)n1
InChIInChI=1S/C10H15NO3S/c1-8-7-14-10(11-8)15-6-4-2-3-5-9(12)13/h7H,2-6H2,1H3,(H,12,13)
InChIKeySVQNBLGQAHIZQO-UHFFFAOYSA-N
MW229.30 g/mol
LogP2.72
Rot. Bonds7

About 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanoic acid

6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanoic acid (PubChem CID 106920818) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanoic acid.

Molecular Properties

Compound Name6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanoic acid
PubChem CID106920818
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanoic acid
SMILESCc1coc(SCCCCCC(=O)O)n1
InChIInChI=1S/C10H15NO3S/c1-8-7-14-10(11-8)15-6-4-2-3-5-9(12)13/h7H,2-6H2,1H3,(H,12,13)
InChIKeySVQNBLGQAHIZQO-UHFFFAOYSA-N
XLogP2.72
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.72
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-(3-chloropropylsulfanyl)-4-methyl-1,3-oxazole
CID 106920998
2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propan-2-ylamino)hexanoic acid
CID 106925284
5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pentanoic acid
CID 102924386
4-(4-methyl-1,3-oxazol-2-yl)-4-oxobutanoic acid
CID 82407415
N-(4-aminophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106922124
N-(2-cyanoethyl)-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106922527
methyl 2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)pentanoate
CID 106925078
N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]butan-1-amine
CID 106925866
(2S)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol
CID 106933459
11-phenylsulfanylundecanoic acid
CID 4109674
9-pyridin-4-ylsulfanylnonanoic acid
CID 139664242
6-(4-methoxyphenyl)sulfanylhexanoic acid
CID 24797502

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanoic acid?
The IUPAC name of 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanoic acid (CID 106920818) is 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanoic acid.
What is the SMILES notation for 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanoic acid?
The canonical SMILES for 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanoic acid is Cc1coc(SCCCCCC(=O)O)n1.
What is the InChIKey of 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanoic acid?
The InChIKey is SVQNBLGQAHIZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-8-7-14-10(11-8)15-6-4-2-3-5-9(12)13/h7H,2-6H2,1H3,(H,12,13).
What are the key properties of 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanoic acid?
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanoic acid has a molecular weight of 229.30 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanoic acid is sourced from PubChem (CID 106920818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).