5-(2-benzyl-6-methoxy-1H-indol-5-yl)-1,3-oxazole

C19H16N2O2 — CID 22238481

IUPAC5-(2-benzyl-6-methoxy-1H-indol-5-yl)-1,3-oxazole
SMILESCOc1cc2[nH]c(Cc3ccccc3)cc2cc1-c1cnco1
InChIInChI=1S/C19H16N2O2/c1-22-18-10-17-14(9-16(18)19-11-20-12-23-19)8-15(21-17)7-13-5-3-2-4-6-13/h2-6,8-12,21H,7H2,1H3
InChIKeyHWRLJNBXLQMWKB-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.42
Rot. Bonds4

About 5-(2-benzyl-6-methoxy-1H-indol-5-yl)-1,3-oxazole

5-(2-benzyl-6-methoxy-1H-indol-5-yl)-1,3-oxazole (PubChem CID 22238481) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-(2-benzyl-6-methoxy-1H-indol-5-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-(2-benzyl-6-methoxy-1H-indol-5-yl)-1,3-oxazole
PubChem CID22238481
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name5-(2-benzyl-6-methoxy-1H-indol-5-yl)-1,3-oxazole
SMILESCOc1cc2[nH]c(Cc3ccccc3)cc2cc1-c1cnco1
InChIInChI=1S/C19H16N2O2/c1-22-18-10-17-14(9-16(18)19-11-20-12-23-19)8-15(21-17)7-13-5-3-2-4-6-13/h2-6,8-12,21H,7H2,1H3
InChIKeyHWRLJNBXLQMWKB-UHFFFAOYSA-N
XLogP4.42
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-benzyl-6-methoxy-1H-indol-5-yl)-1,3-oxazole?
The IUPAC name of 5-(2-benzyl-6-methoxy-1H-indol-5-yl)-1,3-oxazole (CID 22238481) is 5-(2-benzyl-6-methoxy-1H-indol-5-yl)-1,3-oxazole.
What is the SMILES notation for 5-(2-benzyl-6-methoxy-1H-indol-5-yl)-1,3-oxazole?
The canonical SMILES for 5-(2-benzyl-6-methoxy-1H-indol-5-yl)-1,3-oxazole is COc1cc2[nH]c(Cc3ccccc3)cc2cc1-c1cnco1.
What is the InChIKey of 5-(2-benzyl-6-methoxy-1H-indol-5-yl)-1,3-oxazole?
The InChIKey is HWRLJNBXLQMWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-22-18-10-17-14(9-16(18)19-11-20-12-23-19)8-15(21-17)7-13-5-3-2-4-6-13/h2-6,8-12,21H,7H2,1H3.
What are the key properties of 5-(2-benzyl-6-methoxy-1H-indol-5-yl)-1,3-oxazole?
5-(2-benzyl-6-methoxy-1H-indol-5-yl)-1,3-oxazole has a molecular weight of 304.35 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-benzyl-6-methoxy-1H-indol-5-yl)-1,3-oxazole is sourced from PubChem (CID 22238481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).