2-(2-benzofuran-1-yl)-7-methyl-1,3-benzoxazole

C16H11NO2 — CID 57321541

IUPAC2-(2-benzofuran-1-yl)-7-methyl-1,3-benzoxazole
SMILESCc1cccc2nc(-c3occ4ccccc34)oc12
InChIInChI=1S/C16H11NO2/c1-10-5-4-8-13-14(10)19-16(17-13)15-12-7-3-2-6-11(12)9-18-15/h2-9H,1H3
InChIKeyXGXMHYQGEZYDPF-UHFFFAOYSA-N
MW249.27 g/mol
LogP4.55
Rot. Bonds1

About 2-(2-benzofuran-1-yl)-7-methyl-1,3-benzoxazole

2-(2-benzofuran-1-yl)-7-methyl-1,3-benzoxazole (PubChem CID 57321541) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-(2-benzofuran-1-yl)-7-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-benzofuran-1-yl)-7-methyl-1,3-benzoxazole
PubChem CID57321541
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name2-(2-benzofuran-1-yl)-7-methyl-1,3-benzoxazole
SMILESCc1cccc2nc(-c3occ4ccccc34)oc12
InChIInChI=1S/C16H11NO2/c1-10-5-4-8-13-14(10)19-16(17-13)15-12-7-3-2-6-11(12)9-18-15/h2-9H,1H3
InChIKeyXGXMHYQGEZYDPF-UHFFFAOYSA-N
XLogP4.55
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzofuran-1-yl)-7-methyl-1,3-benzoxazole?
The IUPAC name of 2-(2-benzofuran-1-yl)-7-methyl-1,3-benzoxazole (CID 57321541) is 2-(2-benzofuran-1-yl)-7-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-(2-benzofuran-1-yl)-7-methyl-1,3-benzoxazole?
The canonical SMILES for 2-(2-benzofuran-1-yl)-7-methyl-1,3-benzoxazole is Cc1cccc2nc(-c3occ4ccccc34)oc12.
What is the InChIKey of 2-(2-benzofuran-1-yl)-7-methyl-1,3-benzoxazole?
The InChIKey is XGXMHYQGEZYDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c1-10-5-4-8-13-14(10)19-16(17-13)15-12-7-3-2-6-11(12)9-18-15/h2-9H,1H3.
What are the key properties of 2-(2-benzofuran-1-yl)-7-methyl-1,3-benzoxazole?
2-(2-benzofuran-1-yl)-7-methyl-1,3-benzoxazole has a molecular weight of 249.27 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzofuran-1-yl)-7-methyl-1,3-benzoxazole is sourced from PubChem (CID 57321541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).