5-(phenoxymethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2H-oxadiazole

C16H14N4O2 — CID 140550110

IUPAC5-(phenoxymethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2H-oxadiazole
SMILESC1=C(COc2ccccc2)ONN1c1ccnc2[nH]ccc12
InChIInChI=1S/C16H14N4O2/c1-2-4-12(5-3-1)21-11-13-10-20(19-22-13)15-7-9-18-16-14(15)6-8-17-16/h1-10,19H,11H2,(H,17,18)
InChIKeyQBESVZVYZOGFQW-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.74
Rot. Bonds4

About 5-(phenoxymethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2H-oxadiazole

5-(phenoxymethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2H-oxadiazole (PubChem CID 140550110) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-(phenoxymethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2H-oxadiazole.

Molecular Properties

Compound Name5-(phenoxymethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2H-oxadiazole
PubChem CID140550110
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name5-(phenoxymethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2H-oxadiazole
SMILESC1=C(COc2ccccc2)ONN1c1ccnc2[nH]ccc12
InChIInChI=1S/C16H14N4O2/c1-2-4-12(5-3-1)21-11-13-10-20(19-22-13)15-7-9-18-16-14(15)6-8-17-16/h1-10,19H,11H2,(H,17,18)
InChIKeyQBESVZVYZOGFQW-UHFFFAOYSA-N
XLogP2.74
TPSA62.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-phenyl-2H-oxadiazol-5-yl)methoxy]aniline
CID 22060980
4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridine
CID 118078364
4-iodo-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine
CID 130119797
4-phenylmethoxy-7H-pyrrolo[2,3-d]pyrimidine
CID 11253095
4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridine
CID 141134187
N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine
CID 84655641
2-[(1-benzylpyrazol-4-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]ethyl-trimethylsilane
CID 68907276
2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile
CID 58896795
[(2R)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-2-yl]methanol
CID 175782254
7-amino-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)heptane-3-thione
CID 158768412
N-methyl-N-(2-phenoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 50950589
4-[4-(2-phenoxyethyl)piperazin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 70772825

Frequently Asked Questions

What is the IUPAC name of 5-(phenoxymethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2H-oxadiazole?
The IUPAC name of 5-(phenoxymethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2H-oxadiazole (CID 140550110) is 5-(phenoxymethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2H-oxadiazole.
What is the SMILES notation for 5-(phenoxymethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2H-oxadiazole?
The canonical SMILES for 5-(phenoxymethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2H-oxadiazole is C1=C(COc2ccccc2)ONN1c1ccnc2[nH]ccc12.
What is the InChIKey of 5-(phenoxymethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2H-oxadiazole?
The InChIKey is QBESVZVYZOGFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-2-4-12(5-3-1)21-11-13-10-20(19-22-13)15-7-9-18-16-14(15)6-8-17-16/h1-10,19H,11H2,(H,17,18).
What are the key properties of 5-(phenoxymethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2H-oxadiazole?
5-(phenoxymethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2H-oxadiazole has a molecular weight of 294.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenoxymethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2H-oxadiazole is sourced from PubChem (CID 140550110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).