1-(1,3-benzoxazol-2-ylsulfanylmethyl)cyclopentan-1-ol

C13H15NO2S — CID 65213234

IUPAC1-(1,3-benzoxazol-2-ylsulfanylmethyl)cyclopentan-1-ol
SMILESOC1(CSc2nc3ccccc3o2)CCCC1
InChIInChI=1S/C13H15NO2S/c15-13(7-3-4-8-13)9-17-12-14-10-5-1-2-6-11(10)16-12/h1-2,5-6,15H,3-4,7-9H2
InChIKeyMLUODRBDRONQIW-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.22
Rot. Bonds3

About 1-(1,3-benzoxazol-2-ylsulfanylmethyl)cyclopentan-1-ol

1-(1,3-benzoxazol-2-ylsulfanylmethyl)cyclopentan-1-ol (PubChem CID 65213234) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-ylsulfanylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-ylsulfanylmethyl)cyclopentan-1-ol
PubChem CID65213234
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC Name1-(1,3-benzoxazol-2-ylsulfanylmethyl)cyclopentan-1-ol
SMILESOC1(CSc2nc3ccccc3o2)CCCC1
InChIInChI=1S/C13H15NO2S/c15-13(7-3-4-8-13)9-17-12-14-10-5-1-2-6-11(10)16-12/h1-2,5-6,15H,3-4,7-9H2
InChIKeyMLUODRBDRONQIW-UHFFFAOYSA-N
XLogP3.22
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(1,3-benzoxazol-2-ylsulfanyl)propan-1-ol
CID 64805983
4-(1,3-benzoxazol-2-ylsulfanyl)butan-1-ol
CID 43510116
1-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethylmethanamine
CID 119085238
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751340
N-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]cyclopentanamine
CID 62577459
2-(1,3-benzoxazol-2-ylsulfanyl)-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79404054
2-(3,3-dimethylbutylsulfanyl)-1,3-benzoxazole
CID 69292158
3-(1,3-benzoxazol-2-ylsulfanyl)propanal
CID 54119103
4-(1,3-benzoxazol-2-ylsulfanyl)-5-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-(hydroxymethyl)oxolane-2,3-dione
CID 91360159
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyclopropylcarbamoyl)acetamide
CID 7756295
benzyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 690612
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)ethanone
CID 23906561

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-ylsulfanylmethyl)cyclopentan-1-ol?
The IUPAC name of 1-(1,3-benzoxazol-2-ylsulfanylmethyl)cyclopentan-1-ol (CID 65213234) is 1-(1,3-benzoxazol-2-ylsulfanylmethyl)cyclopentan-1-ol.
What is the SMILES notation for 1-(1,3-benzoxazol-2-ylsulfanylmethyl)cyclopentan-1-ol?
The canonical SMILES for 1-(1,3-benzoxazol-2-ylsulfanylmethyl)cyclopentan-1-ol is OC1(CSc2nc3ccccc3o2)CCCC1.
What is the InChIKey of 1-(1,3-benzoxazol-2-ylsulfanylmethyl)cyclopentan-1-ol?
The InChIKey is MLUODRBDRONQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c15-13(7-3-4-8-13)9-17-12-14-10-5-1-2-6-11(10)16-12/h1-2,5-6,15H,3-4,7-9H2.
What are the key properties of 1-(1,3-benzoxazol-2-ylsulfanylmethyl)cyclopentan-1-ol?
1-(1,3-benzoxazol-2-ylsulfanylmethyl)cyclopentan-1-ol has a molecular weight of 249.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-ylsulfanylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 65213234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).