1-(1,3-benzoxazol-2-yl)-5-thiophen-2-ylpentan-2-ol

C16H17NO2S — CID 66460663

IUPAC1-(1,3-benzoxazol-2-yl)-5-thiophen-2-ylpentan-2-ol
SMILESOC(CCCc1cccs1)Cc1nc2ccccc2o1
InChIInChI=1S/C16H17NO2S/c18-12(5-3-6-13-7-4-10-20-13)11-16-17-14-8-1-2-9-15(14)19-16/h1-2,4,7-10,12,18H,3,5-6,11H2
InChIKeyQNFDVYGPNLOSBG-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.82
Rot. Bonds6

About 1-(1,3-benzoxazol-2-yl)-5-thiophen-2-ylpentan-2-ol

1-(1,3-benzoxazol-2-yl)-5-thiophen-2-ylpentan-2-ol (PubChem CID 66460663) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-5-thiophen-2-ylpentan-2-ol.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-5-thiophen-2-ylpentan-2-ol
PubChem CID66460663
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name1-(1,3-benzoxazol-2-yl)-5-thiophen-2-ylpentan-2-ol
SMILESOC(CCCc1cccs1)Cc1nc2ccccc2o1
InChIInChI=1S/C16H17NO2S/c18-12(5-3-6-13-7-4-10-20-13)11-16-17-14-8-1-2-9-15(14)19-16/h1-2,4,7-10,12,18H,3,5-6,11H2
InChIKeyQNFDVYGPNLOSBG-UHFFFAOYSA-N
XLogP3.82
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyridin-4-yl-5-thiophen-2-ylpentan-2-ol
CID 66460697
1-amino-5-thiophen-2-ylpentan-2-ol
CID 54294228
1-(3,4-dichlorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 63520188
1-pyridin-3-yl-5-thiophen-2-ylpentan-2-ol
CID 105125071
6-ethyl-1-thiophen-2-yloctan-4-ol
CID 105122585
1-(furan-3-yl)-5-thiophen-2-ylpentan-2-ol
CID 105123144
2-(1,3-benzoxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanol
CID 66461865
1-(4-propan-2-ylphenyl)-5-thiophen-2-ylpentan-2-ol
CID 105089080
1-quinolin-3-yl-4-thiophen-2-ylbutan-1-ol
CID 105079373
1-thiophen-2-yloct-7-yn-4-ol
CID 105098636
7-thiophen-2-ylhept-1-en-4-ol
CID 105081719
(1R)-N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-thiophen-2-ylethanamine
CID 94489500

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-5-thiophen-2-ylpentan-2-ol?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-5-thiophen-2-ylpentan-2-ol (CID 66460663) is 1-(1,3-benzoxazol-2-yl)-5-thiophen-2-ylpentan-2-ol.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-5-thiophen-2-ylpentan-2-ol?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-5-thiophen-2-ylpentan-2-ol is OC(CCCc1cccs1)Cc1nc2ccccc2o1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-5-thiophen-2-ylpentan-2-ol?
The InChIKey is QNFDVYGPNLOSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c18-12(5-3-6-13-7-4-10-20-13)11-16-17-14-8-1-2-9-15(14)19-16/h1-2,4,7-10,12,18H,3,5-6,11H2.
What are the key properties of 1-(1,3-benzoxazol-2-yl)-5-thiophen-2-ylpentan-2-ol?
1-(1,3-benzoxazol-2-yl)-5-thiophen-2-ylpentan-2-ol has a molecular weight of 287.38 g/mol, XLogP of 3.82, 6 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-yl)-5-thiophen-2-ylpentan-2-ol is sourced from PubChem (CID 66460663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).