4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol

C18H14N2O3 — CID 135883364

IUPAC4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol
SMILESCOc1cc(-c2nc(-c3c[nH]c4ccccc34)co2)ccc1O
InChIInChI=1S/C18H14N2O3/c1-22-17-8-11(6-7-16(17)21)18-20-15(10-23-18)13-9-19-14-5-3-2-4-12(13)14/h2-10,19,21H,1H3
InChIKeyUPEOZMDZRGORAO-UHFFFAOYSA-N
MW306.32 g/mol
LogP4.20
Rot. Bonds3

About 4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol

4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol (PubChem CID 135883364) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol
PubChem CID135883364
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol
SMILESCOc1cc(-c2nc(-c3c[nH]c4ccccc34)co2)ccc1O
InChIInChI=1S/C18H14N2O3/c1-22-17-8-11(6-7-16(17)21)18-20-15(10-23-18)13-9-19-14-5-3-2-4-12(13)14/h2-10,19,21H,1H3
InChIKeyUPEOZMDZRGORAO-UHFFFAOYSA-N
XLogP4.20
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol?
The IUPAC name of 4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol (CID 135883364) is 4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol?
The canonical SMILES for 4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol is COc1cc(-c2nc(-c3c[nH]c4ccccc34)co2)ccc1O.
What is the InChIKey of 4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol?
The InChIKey is UPEOZMDZRGORAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-22-17-8-11(6-7-16(17)21)18-20-15(10-23-18)13-9-19-14-5-3-2-4-12(13)14/h2-10,19,21H,1H3.
What are the key properties of 4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol?
4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol has a molecular weight of 306.32 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol is sourced from PubChem (CID 135883364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).