[1-(1,2-oxazol-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol

C12H11N3O2 — CID 66416460

IUPAC[1-(1,2-oxazol-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESOCc1cn(Cc2cnoc2)c2ncccc12
InChIInChI=1S/C12H11N3O2/c16-7-10-6-15(5-9-4-14-17-8-9)12-11(10)2-1-3-13-12/h1-4,6,8,16H,5,7H2
InChIKeyBDXWBNAIHFIEKR-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.56
Rot. Bonds3

About [1-(1,2-oxazol-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol

[1-(1,2-oxazol-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol (PubChem CID 66416460) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is [1-(1,2-oxazol-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-(1,2-oxazol-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
PubChem CID66416460
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name[1-(1,2-oxazol-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESOCc1cn(Cc2cnoc2)c2ncccc12
InChIInChI=1S/C12H11N3O2/c16-7-10-6-15(5-9-4-14-17-8-9)12-11(10)2-1-3-13-12/h1-4,6,8,16H,5,7H2
InChIKeyBDXWBNAIHFIEKR-UHFFFAOYSA-N
XLogP1.56
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(1,2-oxazol-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
The IUPAC name of [1-(1,2-oxazol-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol (CID 66416460) is [1-(1,2-oxazol-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol.
What is the SMILES notation for [1-(1,2-oxazol-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
The canonical SMILES for [1-(1,2-oxazol-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol is OCc1cn(Cc2cnoc2)c2ncccc12.
What is the InChIKey of [1-(1,2-oxazol-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
The InChIKey is BDXWBNAIHFIEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-7-10-6-15(5-9-4-14-17-8-9)12-11(10)2-1-3-13-12/h1-4,6,8,16H,5,7H2.
What are the key properties of [1-(1,2-oxazol-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
[1-(1,2-oxazol-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol has a molecular weight of 229.24 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,2-oxazol-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol is sourced from PubChem (CID 66416460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).