5-(1H-indol-5-yl)-3-(4-methoxyphenyl)-1,2-oxazole

C18H14N2O2 — CID 71460051

IUPAC5-(1H-indol-5-yl)-3-(4-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2cc(-c3ccc4[nH]ccc4c3)on2)cc1
InChIInChI=1S/C18H14N2O2/c1-21-15-5-2-12(3-6-15)17-11-18(22-20-17)14-4-7-16-13(10-14)8-9-19-16/h2-11,19H,1H3
InChIKeyGROHNVHKRDXIRA-UHFFFAOYSA-N
MW290.32 g/mol
LogP4.50
Rot. Bonds3

About 5-(1H-indol-5-yl)-3-(4-methoxyphenyl)-1,2-oxazole

5-(1H-indol-5-yl)-3-(4-methoxyphenyl)-1,2-oxazole (PubChem CID 71460051) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-(1H-indol-5-yl)-3-(4-methoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(1H-indol-5-yl)-3-(4-methoxyphenyl)-1,2-oxazole
PubChem CID71460051
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name5-(1H-indol-5-yl)-3-(4-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2cc(-c3ccc4[nH]ccc4c3)on2)cc1
InChIInChI=1S/C18H14N2O2/c1-21-15-5-2-12(3-6-15)17-11-18(22-20-17)14-4-7-16-13(10-14)8-9-19-16/h2-11,19H,1H3
InChIKeyGROHNVHKRDXIRA-UHFFFAOYSA-N
XLogP4.50
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-5-yl)-3-(4-methoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-(1H-indol-5-yl)-3-(4-methoxyphenyl)-1,2-oxazole (CID 71460051) is 5-(1H-indol-5-yl)-3-(4-methoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-(1H-indol-5-yl)-3-(4-methoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-(1H-indol-5-yl)-3-(4-methoxyphenyl)-1,2-oxazole is COc1ccc(-c2cc(-c3ccc4[nH]ccc4c3)on2)cc1.
What is the InChIKey of 5-(1H-indol-5-yl)-3-(4-methoxyphenyl)-1,2-oxazole?
The InChIKey is GROHNVHKRDXIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-21-15-5-2-12(3-6-15)17-11-18(22-20-17)14-4-7-16-13(10-14)8-9-19-16/h2-11,19H,1H3.
What are the key properties of 5-(1H-indol-5-yl)-3-(4-methoxyphenyl)-1,2-oxazole?
5-(1H-indol-5-yl)-3-(4-methoxyphenyl)-1,2-oxazole has a molecular weight of 290.32 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-5-yl)-3-(4-methoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 71460051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).