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

C18H14N2O2 — CID 45276472

IUPAC4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2nc(-c3c[nH]c4ccccc34)co2)cc1
InChIInChI=1S/C18H14N2O2/c1-21-13-8-6-12(7-9-13)18-20-17(11-22-18)15-10-19-16-5-3-2-4-14(15)16/h2-11,19H,1H3
InChIKeyAZQWTMXWSAEHDK-UHFFFAOYSA-N
MW290.32 g/mol
LogP4.50
Rot. Bonds3

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

4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-1,3-oxazole (PubChem CID 45276472) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-1,3-oxazole
PubChem CID45276472
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2nc(-c3c[nH]c4ccccc34)co2)cc1
InChIInChI=1S/C18H14N2O2/c1-21-13-8-6-12(7-9-13)18-20-17(11-22-18)15-10-19-16-5-3-2-4-14(15)16/h2-11,19H,1H3
InChIKeyAZQWTMXWSAEHDK-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 4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-1,3-oxazole (CID 45276472) is 4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-1,3-oxazole is COc1ccc(-c2nc(-c3c[nH]c4ccccc34)co2)cc1.
What is the InChIKey of 4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-1,3-oxazole?
The InChIKey is AZQWTMXWSAEHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-21-13-8-6-12(7-9-13)18-20-17(11-22-18)15-10-19-16-5-3-2-4-14(15)16/h2-11,19H,1H3.
What are the key properties of 4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-1,3-oxazole?
4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-1,3-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 4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 45276472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).