5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-amine

C19H17N5O2 — CID 86782918

IUPAC5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccc2ncc(CNc3nnc(C4Cc5ccccc5O4)o3)n2c1
InChIInChI=1S/C19H17N5O2/c1-12-6-7-17-20-9-14(24(17)11-12)10-21-19-23-22-18(26-19)16-8-13-4-2-3-5-15(13)25-16/h2-7,9,11,16H,8,10H2,1H3,(H,21,23)
InChIKeyXLBUQLLBQPMECJ-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.31
Rot. Bonds4

About 5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-amine

5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 86782918) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID86782918
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccc2ncc(CNc3nnc(C4Cc5ccccc5O4)o3)n2c1
InChIInChI=1S/C19H17N5O2/c1-12-6-7-17-20-9-14(24(17)11-12)10-21-19-23-22-18(26-19)16-8-13-4-2-3-5-15(13)25-16/h2-7,9,11,16H,8,10H2,1H3,(H,21,23)
InChIKeyXLBUQLLBQPMECJ-UHFFFAOYSA-N
XLogP3.31
TPSA77.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 86782918) is 5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-amine is Cc1ccc2ncc(CNc3nnc(C4Cc5ccccc5O4)o3)n2c1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is XLBUQLLBQPMECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-12-6-7-17-20-9-14(24(17)11-12)10-21-19-23-22-18(26-19)16-8-13-4-2-3-5-15(13)25-16/h2-7,9,11,16H,8,10H2,1H3,(H,21,23).
What are the key properties of 5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 347.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 86782918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).