[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol

C13H13N3O2 — CID 66415678

IUPAC[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCc1cc(Cn2cc(CO)c3cccnc32)on1
InChIInChI=1S/C13H13N3O2/c1-9-5-11(18-15-9)7-16-6-10(8-17)12-3-2-4-14-13(12)16/h2-6,17H,7-8H2,1H3
InChIKeyXNJMAIYPAACXEK-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.87
Rot. Bonds3

About [1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol

[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol (PubChem CID 66415678) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is [1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
PubChem CID66415678
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCc1cc(Cn2cc(CO)c3cccnc32)on1
InChIInChI=1S/C13H13N3O2/c1-9-5-11(18-15-9)7-16-6-10(8-17)12-3-2-4-14-13(12)16/h2-6,17H,7-8H2,1H3
InChIKeyXNJMAIYPAACXEK-UHFFFAOYSA-N
XLogP1.87
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The IUPAC name of [1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol (CID 66415678) is [1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol.
What is the SMILES notation for [1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The canonical SMILES for [1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol is Cc1cc(Cn2cc(CO)c3cccnc32)on1.
What is the InChIKey of [1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The InChIKey is XNJMAIYPAACXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9-5-11(18-15-9)7-16-6-10(8-17)12-3-2-4-14-13(12)16/h2-6,17H,7-8H2,1H3.
What are the key properties of [1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol has a molecular weight of 243.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol is sourced from PubChem (CID 66415678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).