2-(1,3-benzoxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanol

C14H13NO2S — CID 66461865

IUPAC2-(1,3-benzoxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanol
SMILESCc1ccsc1C(O)Cc1nc2ccccc2o1
InChIInChI=1S/C14H13NO2S/c1-9-6-7-18-14(9)11(16)8-13-15-10-4-2-3-5-12(10)17-13/h2-7,11,16H,8H2,1H3
InChIKeyDRFAIPGHBJSRSL-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.47
Rot. Bonds3

About 2-(1,3-benzoxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanol

2-(1,3-benzoxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanol (PubChem CID 66461865) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanol
PubChem CID66461865
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name2-(1,3-benzoxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanol
SMILESCc1ccsc1C(O)Cc1nc2ccccc2o1
InChIInChI=1S/C14H13NO2S/c1-9-6-7-18-14(9)11(16)8-13-15-10-4-2-3-5-12(10)17-13/h2-7,11,16H,8H2,1H3
InChIKeyDRFAIPGHBJSRSL-UHFFFAOYSA-N
XLogP3.47
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-(1,3-benzoxazol-2-yl)-1-(2-methylphenyl)ethanol
CID 146169064
2-(1,3-benzoxazol-2-yl)-1-(3-methylphenyl)ethanol
CID 66460868
2-[2-chloro-2-(3-chlorothiophen-2-yl)ethyl]-1,3-benzoxazole
CID 80642429
2-[2-(3-bromothiophen-2-yl)-2-chloroethyl]-1,3-benzoxazole
CID 66461342
2-[2-bromo-2-(3-chlorothiophen-2-yl)ethyl]-1,3-benzoxazole
CID 80641088
1-(1,3-benzoxazol-2-yl)-5-thiophen-2-ylpentan-2-ol
CID 66460663
1-(1,3-benzoxazol-2-yl)propan-2-amine;ethane
CID 142930322
2-[2-(2,4-dimethylphenyl)propyl]-1,3-benzoxazole;methane
CID 142549567
2-[2-bromo-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzoxazole
CID 114031538
2-[2-chloro-2-(2,5-dimethylphenyl)ethyl]-1,3-benzoxazole
CID 66461340
2-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 62388216
2-[(2R)-2-phenylpropyl]-1,3-benzoxazole
CID 134964619

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanol?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanol (CID 66461865) is 2-(1,3-benzoxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanol?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanol is Cc1ccsc1C(O)Cc1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanol?
The InChIKey is DRFAIPGHBJSRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-9-6-7-18-14(9)11(16)8-13-15-10-4-2-3-5-12(10)17-13/h2-7,11,16H,8H2,1H3.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanol?
2-(1,3-benzoxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanol has a molecular weight of 259.33 g/mol, XLogP of 3.47, 3 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-yl)-1-(3-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 66461865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).