2-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]-1,3,4-oxadiazole

C16H12N4O — CID 70734595

IUPAC2-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]-1,3,4-oxadiazole
SMILESCn1ccc2c(-c3ccc(-c4nnco4)cc3)ccnc21
InChIInChI=1S/C16H12N4O/c1-20-9-7-14-13(6-8-17-15(14)20)11-2-4-12(5-3-11)16-19-18-10-21-16/h2-10H,1H3
InChIKeyKORTWKAVSRAEKT-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.29
Rot. Bonds2

About 2-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]-1,3,4-oxadiazole

2-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]-1,3,4-oxadiazole (PubChem CID 70734595) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]-1,3,4-oxadiazole
PubChem CID70734595
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name2-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]-1,3,4-oxadiazole
SMILESCn1ccc2c(-c3ccc(-c4nnco4)cc3)ccnc21
InChIInChI=1S/C16H12N4O/c1-20-9-7-14-13(6-8-17-15(14)20)11-2-4-12(5-3-11)16-19-18-10-21-16/h2-10H,1H3
InChIKeyKORTWKAVSRAEKT-UHFFFAOYSA-N
XLogP3.29
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]-1,3,4-oxadiazole (CID 70734595) is 2-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]-1,3,4-oxadiazole is Cn1ccc2c(-c3ccc(-c4nnco4)cc3)ccnc21.
What is the InChIKey of 2-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]-1,3,4-oxadiazole?
The InChIKey is KORTWKAVSRAEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-20-9-7-14-13(6-8-17-15(14)20)11-2-4-12(5-3-11)16-19-18-10-21-16/h2-10H,1H3.
What are the key properties of 2-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]-1,3,4-oxadiazole?
2-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]-1,3,4-oxadiazole has a molecular weight of 276.30 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 70734595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).