2-(1,3-dihydroisoindol-2-yl)-5-(2-methoxy-4-pyridinyl)-1,3-benzoxazole

C21H17N3O2 — CID 70903052

IUPAC2-(1,3-dihydroisoindol-2-yl)-5-(2-methoxy-4-pyridinyl)-1,3-benzoxazole
SMILESCOc1cc(-c2ccc3oc(N4Cc5ccccc5C4)nc3c2)ccn1
InChIInChI=1S/C21H17N3O2/c1-25-20-11-15(8-9-22-20)14-6-7-19-18(10-14)23-21(26-19)24-12-16-4-2-3-5-17(16)13-24/h2-11H,12-13H2,1H3
InChIKeyIVLAPVBXSZHTRN-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.42
Rot. Bonds3

About 2-(1,3-dihydroisoindol-2-yl)-5-(2-methoxy-4-pyridinyl)-1,3-benzoxazole

2-(1,3-dihydroisoindol-2-yl)-5-(2-methoxy-4-pyridinyl)-1,3-benzoxazole (PubChem CID 70903052) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-5-(2-methoxy-4-pyridinyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-5-(2-methoxy-4-pyridinyl)-1,3-benzoxazole
PubChem CID70903052
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-5-(2-methoxy-4-pyridinyl)-1,3-benzoxazole
SMILESCOc1cc(-c2ccc3oc(N4Cc5ccccc5C4)nc3c2)ccn1
InChIInChI=1S/C21H17N3O2/c1-25-20-11-15(8-9-22-20)14-6-7-19-18(10-14)23-21(26-19)24-12-16-4-2-3-5-17(16)13-24/h2-11H,12-13H2,1H3
InChIKeyIVLAPVBXSZHTRN-UHFFFAOYSA-N
XLogP4.42
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-5-(2-methoxy-4-pyridinyl)-1,3-benzoxazole?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-5-(2-methoxy-4-pyridinyl)-1,3-benzoxazole (CID 70903052) is 2-(1,3-dihydroisoindol-2-yl)-5-(2-methoxy-4-pyridinyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-5-(2-methoxy-4-pyridinyl)-1,3-benzoxazole?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-5-(2-methoxy-4-pyridinyl)-1,3-benzoxazole is COc1cc(-c2ccc3oc(N4Cc5ccccc5C4)nc3c2)ccn1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-5-(2-methoxy-4-pyridinyl)-1,3-benzoxazole?
The InChIKey is IVLAPVBXSZHTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-25-20-11-15(8-9-22-20)14-6-7-19-18(10-14)23-21(26-19)24-12-16-4-2-3-5-17(16)13-24/h2-11H,12-13H2,1H3.
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-5-(2-methoxy-4-pyridinyl)-1,3-benzoxazole?
2-(1,3-dihydroisoindol-2-yl)-5-(2-methoxy-4-pyridinyl)-1,3-benzoxazole has a molecular weight of 343.39 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-5-(2-methoxy-4-pyridinyl)-1,3-benzoxazole is sourced from PubChem (CID 70903052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).