2-(3-methyl-1-benzofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole

C16H11N3O2 — CID 29132244

IUPAC2-(3-methyl-1-benzofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(-c3ccncc3)o2)oc2ccccc12
InChIInChI=1S/C16H11N3O2/c1-10-12-4-2-3-5-13(12)20-14(10)16-19-18-15(21-16)11-6-8-17-9-7-11/h2-9H,1H3
InChIKeyIENVRSUDAJCQCZ-UHFFFAOYSA-N
MW277.28 g/mol
LogP3.85
Rot. Bonds2

About 2-(3-methyl-1-benzofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole

2-(3-methyl-1-benzofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 29132244) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-(3-methyl-1-benzofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-methyl-1-benzofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID29132244
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name2-(3-methyl-1-benzofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(-c3ccncc3)o2)oc2ccccc12
InChIInChI=1S/C16H11N3O2/c1-10-12-4-2-3-5-13(12)20-14(10)16-19-18-15(21-16)11-6-8-17-9-7-11/h2-9H,1H3
InChIKeyIENVRSUDAJCQCZ-UHFFFAOYSA-N
XLogP3.85
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1-benzofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(3-methyl-1-benzofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole (CID 29132244) is 2-(3-methyl-1-benzofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-methyl-1-benzofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-methyl-1-benzofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole is Cc1c(-c2nnc(-c3ccncc3)o2)oc2ccccc12.
What is the InChIKey of 2-(3-methyl-1-benzofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is IENVRSUDAJCQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c1-10-12-4-2-3-5-13(12)20-14(10)16-19-18-15(21-16)11-6-8-17-9-7-11/h2-9H,1H3.
What are the key properties of 2-(3-methyl-1-benzofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole?
2-(3-methyl-1-benzofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 277.28 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1-benzofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 29132244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).