(2-thiophen-2-yl-1,3-benzoxazol-4-yl)methanol

C12H9NO2S — CID 54527249

IUPAC(2-thiophen-2-yl-1,3-benzoxazol-4-yl)methanol
SMILESOCc1cccc2oc(-c3cccs3)nc12
InChIInChI=1S/C12H9NO2S/c14-7-8-3-1-4-9-11(8)13-12(15-9)10-5-2-6-16-10/h1-6,14H,7H2
InChIKeyYTZQXEYQVXBXIA-UHFFFAOYSA-N
MW231.28 g/mol
LogP3.05
Rot. Bonds2

About (2-thiophen-2-yl-1,3-benzoxazol-4-yl)methanol

(2-thiophen-2-yl-1,3-benzoxazol-4-yl)methanol (PubChem CID 54527249) has the molecular formula C12H9NO2S and a molecular weight of 231.28 g/mol. Its IUPAC name is (2-thiophen-2-yl-1,3-benzoxazol-4-yl)methanol.

Molecular Properties

Compound Name(2-thiophen-2-yl-1,3-benzoxazol-4-yl)methanol
PubChem CID54527249
Molecular FormulaC12H9NO2S
Molecular Weight231.28 g/mol
Exact Mass231.04
IUPAC Name(2-thiophen-2-yl-1,3-benzoxazol-4-yl)methanol
SMILESOCc1cccc2oc(-c3cccs3)nc12
InChIInChI=1S/C12H9NO2S/c14-7-8-3-1-4-9-11(8)13-12(15-9)10-5-2-6-16-10/h1-6,14H,7H2
InChIKeyYTZQXEYQVXBXIA-UHFFFAOYSA-N
XLogP3.05
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxy-1,3-benzoxazol-4-yl)methanol
CID 117277912
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanol
CID 43558918
thiophene;2-thiophen-2-yl-1,3-benzoxazole
CID 174523834
2-thiophen-2-yl-7-(2-thiophen-2-yl-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-7-yl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
CID 169314270
methyl 2-[2-(3-chlorothiophen-2-yl)-1,3-benzoxazol-4-yl]acetate
CID 139676391
[4-(hydroxymethyl)-2,5-dithiophen-2-ylphenyl]methanol
CID 137421749
5-fluoro-2-thiophen-2-yl-1,3-benzoxazole
CID 102366712
1-(2-thiophen-2-yl-1,3-benzoxazol-5-yl)propan-1-one
CID 82299953
6-tert-butyl-2-thiophen-2-yl-1,3-benzoxazole
CID 135062583
1-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanol
CID 69240115
4-(chloromethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 5076491
[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methanol
CID 15838027

Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-yl-1,3-benzoxazol-4-yl)methanol?
The IUPAC name of (2-thiophen-2-yl-1,3-benzoxazol-4-yl)methanol (CID 54527249) is (2-thiophen-2-yl-1,3-benzoxazol-4-yl)methanol.
What is the SMILES notation for (2-thiophen-2-yl-1,3-benzoxazol-4-yl)methanol?
The canonical SMILES for (2-thiophen-2-yl-1,3-benzoxazol-4-yl)methanol is OCc1cccc2oc(-c3cccs3)nc12.
What is the InChIKey of (2-thiophen-2-yl-1,3-benzoxazol-4-yl)methanol?
The InChIKey is YTZQXEYQVXBXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2S/c14-7-8-3-1-4-9-11(8)13-12(15-9)10-5-2-6-16-10/h1-6,14H,7H2.
What are the key properties of (2-thiophen-2-yl-1,3-benzoxazol-4-yl)methanol?
(2-thiophen-2-yl-1,3-benzoxazol-4-yl)methanol has a molecular weight of 231.28 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-2-yl-1,3-benzoxazol-4-yl)methanol is sourced from PubChem (CID 54527249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).