1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexan-2-ol

C10H17NO2S — CID 22367311

IUPAC1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexan-2-ol
SMILESCCCCC(O)CSc1nc(C)co1
InChIInChI=1S/C10H17NO2S/c1-3-4-5-9(12)7-14-10-11-8(2)6-13-10/h6,9,12H,3-5,7H2,1-2H3
InChIKeyDNEOHACTDSLIJQ-UHFFFAOYSA-N
MW215.32 g/mol
LogP2.63
Rot. Bonds6

About 1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexan-2-ol

1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexan-2-ol (PubChem CID 22367311) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexan-2-ol.

Molecular Properties

Compound Name1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexan-2-ol
PubChem CID22367311
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexan-2-ol
SMILESCCCCC(O)CSc1nc(C)co1
InChIInChI=1S/C10H17NO2S/c1-3-4-5-9(12)7-14-10-11-8(2)6-13-10/h6,9,12H,3-5,7H2,1-2H3
InChIKeyDNEOHACTDSLIJQ-UHFFFAOYSA-N
XLogP2.63
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol
CID 106933459
4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-ol
CID 106923608
2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]butane-1-thiol
CID 106928123
N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]butan-1-amine
CID 106925866
3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylpropanoic acid
CID 106920797
2-(3-chloropropylsulfanyl)-4-methyl-1,3-oxazole
CID 106920998
1-(4-ethoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
CID 106927594
2-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]but-2-enoic acid
CID 106920850
(2S)-1-(4-methylphenyl)sulfanylheptan-2-ol
CID 102244246
N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]pentan-1-amine
CID 106925868
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanoic acid
CID 106920818
ethyl 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate
CID 106920837

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexan-2-ol?
The IUPAC name of 1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexan-2-ol (CID 22367311) is 1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexan-2-ol.
What is the SMILES notation for 1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexan-2-ol?
The canonical SMILES for 1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexan-2-ol is CCCCC(O)CSc1nc(C)co1.
What is the InChIKey of 1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexan-2-ol?
The InChIKey is DNEOHACTDSLIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-3-4-5-9(12)7-14-10-11-8(2)6-13-10/h6,9,12H,3-5,7H2,1-2H3.
What are the key properties of 1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexan-2-ol?
1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexan-2-ol has a molecular weight of 215.32 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexan-2-ol is sourced from PubChem (CID 22367311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).