5-(methoxymethyl)-3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-one

C18H16N4O3 — CID 75446420

IUPAC5-(methoxymethyl)-3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-one
SMILESCOCc1nn(Cc2c(-c3ccccc3)nc3ccccn23)c(=O)o1
InChIInChI=1S/C18H16N4O3/c1-24-12-16-20-22(18(23)25-16)11-14-17(13-7-3-2-4-8-13)19-15-9-5-6-10-21(14)15/h2-10H,11-12H2,1H3
InChIKeyAKGIXKPVMVZOEL-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.35
Rot. Bonds5

About 5-(methoxymethyl)-3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-one

5-(methoxymethyl)-3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-one (PubChem CID 75446420) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(methoxymethyl)-3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-one
PubChem CID75446420
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name5-(methoxymethyl)-3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-one
SMILESCOCc1nn(Cc2c(-c3ccccc3)nc3ccccn23)c(=O)o1
InChIInChI=1S/C18H16N4O3/c1-24-12-16-20-22(18(23)25-16)11-14-17(13-7-3-2-4-8-13)19-15-9-5-6-10-21(14)15/h2-10H,11-12H2,1H3
InChIKeyAKGIXKPVMVZOEL-UHFFFAOYSA-N
XLogP2.35
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(methoxymethyl)-3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-one (CID 75446420) is 5-(methoxymethyl)-3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(methoxymethyl)-3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(methoxymethyl)-3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-one is COCc1nn(Cc2c(-c3ccccc3)nc3ccccn23)c(=O)o1.
What is the InChIKey of 5-(methoxymethyl)-3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-one?
The InChIKey is AKGIXKPVMVZOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-24-12-16-20-22(18(23)25-16)11-14-17(13-7-3-2-4-8-13)19-15-9-5-6-10-21(14)15/h2-10H,11-12H2,1H3.
What are the key properties of 5-(methoxymethyl)-3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-one?
5-(methoxymethyl)-3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-one has a molecular weight of 336.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 75446420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).