5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]oxadiazol-5-yl]pyridine-2-carbonitrile

C18H13N5O3 — CID 67475047

IUPAC5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]oxadiazol-5-yl]pyridine-2-carbonitrile
SMILESCOc1ccc(-c2nn3c(-c4ccc(C#N)nc4)cnc3o2)cc1OC
InChIInChI=1S/C18H13N5O3/c1-24-15-6-4-11(7-16(15)25-2)17-22-23-14(10-21-18(23)26-17)12-3-5-13(8-19)20-9-12/h3-7,9-10H,1-2H3
InChIKeyWHHHJTLZMCLNFA-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.94
Rot. Bonds4

About 5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]oxadiazol-5-yl]pyridine-2-carbonitrile

5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]oxadiazol-5-yl]pyridine-2-carbonitrile (PubChem CID 67475047) has the molecular formula C18H13N5O3 and a molecular weight of 347.33 g/mol. Its IUPAC name is 5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]oxadiazol-5-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]oxadiazol-5-yl]pyridine-2-carbonitrile
PubChem CID67475047
Molecular FormulaC18H13N5O3
Molecular Weight347.33 g/mol
Exact Mass347.10
IUPAC Name5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]oxadiazol-5-yl]pyridine-2-carbonitrile
SMILESCOc1ccc(-c2nn3c(-c4ccc(C#N)nc4)cnc3o2)cc1OC
InChIInChI=1S/C18H13N5O3/c1-24-15-6-4-11(7-16(15)25-2)17-22-23-14(10-21-18(23)26-17)12-3-5-13(8-19)20-9-12/h3-7,9-10H,1-2H3
InChIKeyWHHHJTLZMCLNFA-UHFFFAOYSA-N
XLogP2.94
TPSA98.47 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]oxadiazol-5-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]oxadiazol-5-yl]pyridine-2-carbonitrile (CID 67475047) is 5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]oxadiazol-5-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]oxadiazol-5-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]oxadiazol-5-yl]pyridine-2-carbonitrile is COc1ccc(-c2nn3c(-c4ccc(C#N)nc4)cnc3o2)cc1OC.
What is the InChIKey of 5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]oxadiazol-5-yl]pyridine-2-carbonitrile?
The InChIKey is WHHHJTLZMCLNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O3/c1-24-15-6-4-11(7-16(15)25-2)17-22-23-14(10-21-18(23)26-17)12-3-5-13(8-19)20-9-12/h3-7,9-10H,1-2H3.
What are the key properties of 5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]oxadiazol-5-yl]pyridine-2-carbonitrile?
5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]oxadiazol-5-yl]pyridine-2-carbonitrile has a molecular weight of 347.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]oxadiazol-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 67475047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).