1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde

C14H13N3O2 — CID 66413883

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESCc1noc(C)c1Cn1cc(C=O)c2cccnc21
InChIInChI=1S/C14H13N3O2/c1-9-13(10(2)19-16-9)7-17-6-11(8-18)12-4-3-5-15-14(12)17/h3-6,8H,7H2,1-2H3
InChIKeyWUNHGUVYOLGAAI-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.50
Rot. Bonds3

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde (PubChem CID 66413883) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
PubChem CID66413883
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESCc1noc(C)c1Cn1cc(C=O)c2cccnc21
InChIInChI=1S/C14H13N3O2/c1-9-13(10(2)19-16-9)7-17-6-11(8-18)12-4-3-5-15-14(12)17/h3-6,8H,7H2,1-2H3
InChIKeyWUNHGUVYOLGAAI-UHFFFAOYSA-N
XLogP2.50
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde (CID 66413883) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde is Cc1noc(C)c1Cn1cc(C=O)c2cccnc21.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The InChIKey is WUNHGUVYOLGAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-9-13(10(2)19-16-9)7-17-6-11(8-18)12-4-3-5-15-14(12)17/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde has a molecular weight of 255.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 66413883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).