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

C13H14N4O — CID 66413936

IUPAC[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
SMILESCc1cc(Cn2cc(CN)c3cccnc32)no1
InChIInChI=1S/C13H14N4O/c1-9-5-11(16-18-9)8-17-7-10(6-14)12-3-2-4-15-13(12)17/h2-5,7H,6,8,14H2,1H3
InChIKeyRLMYDJASTQJKKS-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.84
Rot. Bonds3

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

[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine (PubChem CID 66413936) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is [1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
PubChem CID66413936
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
SMILESCc1cc(Cn2cc(CN)c3cccnc32)no1
InChIInChI=1S/C13H14N4O/c1-9-5-11(16-18-9)8-17-7-10(6-14)12-3-2-4-15-13(12)17/h2-5,7H,6,8,14H2,1H3
InChIKeyRLMYDJASTQJKKS-UHFFFAOYSA-N
XLogP1.84
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine?
The IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine (CID 66413936) is [1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine.
What is the SMILES notation for [1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine?
The canonical SMILES for [1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine is Cc1cc(Cn2cc(CN)c3cccnc32)no1.
What is the InChIKey of [1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine?
The InChIKey is RLMYDJASTQJKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9-5-11(16-18-9)8-17-7-10(6-14)12-3-2-4-15-13(12)17/h2-5,7H,6,8,14H2,1H3.
What are the key properties of [1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine?
[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine has a molecular weight of 242.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine is sourced from PubChem (CID 66413936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).