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

C15H16N4O — CID 154801845

IUPAC5-(3,3-dimethylcyclobutyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
SMILESCC1(C)CC(c2nc(-c3nccc4[nH]ccc34)no2)C1
InChIInChI=1S/C15H16N4O/c1-15(2)7-9(8-15)14-18-13(19-20-14)12-10-3-5-16-11(10)4-6-17-12/h3-6,9,16H,7-8H2,1-2H3
InChIKeyBJPLLYVFSPHGRG-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.52
Rot. Bonds2

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

5-(3,3-dimethylcyclobutyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole (PubChem CID 154801845) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-(3,3-dimethylcyclobutyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,3-dimethylcyclobutyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
PubChem CID154801845
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-(3,3-dimethylcyclobutyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
SMILESCC1(C)CC(c2nc(-c3nccc4[nH]ccc34)no2)C1
InChIInChI=1S/C15H16N4O/c1-15(2)7-9(8-15)14-18-13(19-20-14)12-10-3-5-16-11(10)4-6-17-12/h3-6,9,16H,7-8H2,1-2H3
InChIKeyBJPLLYVFSPHGRG-UHFFFAOYSA-N
XLogP3.52
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylcyclobutyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3,3-dimethylcyclobutyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole (CID 154801845) is 5-(3,3-dimethylcyclobutyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,3-dimethylcyclobutyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,3-dimethylcyclobutyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole is CC1(C)CC(c2nc(-c3nccc4[nH]ccc34)no2)C1.
What is the InChIKey of 5-(3,3-dimethylcyclobutyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole?
The InChIKey is BJPLLYVFSPHGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-15(2)7-9(8-15)14-18-13(19-20-14)12-10-3-5-16-11(10)4-6-17-12/h3-6,9,16H,7-8H2,1-2H3.
What are the key properties of 5-(3,3-dimethylcyclobutyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole?
5-(3,3-dimethylcyclobutyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole has a molecular weight of 268.32 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylcyclobutyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 154801845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).