[6-(1,2-benzoxazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol

C20H18N2O3S — CID 172542171

IUPAC[6-(1,2-benzoxazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol
SMILESOC(c1cc2ccc(-c3ccc4oncc4c3)nc2s1)C1CCOCC1
InChIInChI=1S/C20H18N2O3S/c23-19(12-5-7-24-8-6-12)18-10-14-1-3-16(22-20(14)26-18)13-2-4-17-15(9-13)11-21-25-17/h1-4,9-12,19,23H,5-8H2
InChIKeyYPTWIKXZFBCZKX-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.56
Rot. Bonds3

About [6-(1,2-benzoxazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol

[6-(1,2-benzoxazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol (PubChem CID 172542171) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is [6-(1,2-benzoxazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol.

Molecular Properties

Compound Name[6-(1,2-benzoxazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol
PubChem CID172542171
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name[6-(1,2-benzoxazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol
SMILESOC(c1cc2ccc(-c3ccc4oncc4c3)nc2s1)C1CCOCC1
InChIInChI=1S/C20H18N2O3S/c23-19(12-5-7-24-8-6-12)18-10-14-1-3-16(22-20(14)26-18)13-2-4-17-15(9-13)11-21-25-17/h1-4,9-12,19,23H,5-8H2
InChIKeyYPTWIKXZFBCZKX-UHFFFAOYSA-N
XLogP4.56
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(R)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol
CID 172542038
[6-(3-methyl-2H-indazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol
CID 172542050
(6-chlorothieno[2,3-b]pyridin-2-yl)-(oxan-4-yl)methanol
CID 172542463
(S)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-[(3R)-1-methylpyrrolidin-3-yl]methanol
CID 172542044
(S)-(3-methoxycyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
CID 172542099
(S)-(3,3-difluorocyclobutyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
CID 172542122
(R)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-[3-(trifluoromethyl)cyclobutyl]methanol
CID 172542089
(S)-(3,3-difluorocyclobutyl)-[6-(2-propan-2-ylindazol-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
CID 172542461
(R)-(3,3-difluorocyclobutyl)-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
CID 172542593
(4,5-dibromothiophen-2-yl)-(oxan-4-yl)methanol
CID 80535371
(S)-oxan-4-yl(thiophen-2-yl)methanol
CID 129368530
[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanediol
CID 172582722

Frequently Asked Questions

What is the IUPAC name of [6-(1,2-benzoxazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol?
The IUPAC name of [6-(1,2-benzoxazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol (CID 172542171) is [6-(1,2-benzoxazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol.
What is the SMILES notation for [6-(1,2-benzoxazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol?
The canonical SMILES for [6-(1,2-benzoxazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol is OC(c1cc2ccc(-c3ccc4oncc4c3)nc2s1)C1CCOCC1.
What is the InChIKey of [6-(1,2-benzoxazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol?
The InChIKey is YPTWIKXZFBCZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c23-19(12-5-7-24-8-6-12)18-10-14-1-3-16(22-20(14)26-18)13-2-4-17-15(9-13)11-21-25-17/h1-4,9-12,19,23H,5-8H2.
What are the key properties of [6-(1,2-benzoxazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol?
[6-(1,2-benzoxazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol has a molecular weight of 366.44 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,2-benzoxazol-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol is sourced from PubChem (CID 172542171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).