6-(5-methoxyindol-1-yl)-2,1-benzoxazole

C16H12N2O2 — CID 152663892

IUPAC6-(5-methoxyindol-1-yl)-2,1-benzoxazole
SMILESCOc1ccc2c(ccn2-c2ccc3conc3c2)c1
InChIInChI=1S/C16H12N2O2/c1-19-14-4-5-16-11(8-14)6-7-18(16)13-3-2-12-10-20-17-15(12)9-13/h2-10H,1H3
InChIKeyZKCPRFHXFRCIGC-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.78
Rot. Bonds2

About 6-(5-methoxyindol-1-yl)-2,1-benzoxazole

6-(5-methoxyindol-1-yl)-2,1-benzoxazole (PubChem CID 152663892) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 6-(5-methoxyindol-1-yl)-2,1-benzoxazole.

Molecular Properties

Compound Name6-(5-methoxyindol-1-yl)-2,1-benzoxazole
PubChem CID152663892
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name6-(5-methoxyindol-1-yl)-2,1-benzoxazole
SMILESCOc1ccc2c(ccn2-c2ccc3conc3c2)c1
InChIInChI=1S/C16H12N2O2/c1-19-14-4-5-16-11(8-14)6-7-18(16)13-3-2-12-10-20-17-15(12)9-13/h2-10H,1H3
InChIKeyZKCPRFHXFRCIGC-UHFFFAOYSA-N
XLogP3.78
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-methoxyindol-1-yl)benzonitrile
CID 13324712
(2R,3R,4S,5S)-2-[4-(5-methoxyindol-1-yl)phenoxy]oxane-3,4,5-triol
CID 177165380
1,5,6-tris(4-methoxyphenyl)indole
CID 174980314
5-methoxy-1-methylindole
CID 819864
5-methoxy-1-(2-methylsulfinylpyrimidin-4-yl)indole
CID 135203674
1-(5-methoxyindol-1-yl)isoquinoline
CID 162514100
5-methoxy-1-(3-methylbut-2-enyl)indole
CID 116619398
5-methoxyindole-1-carboxylic acid
CID 68566461
N,N-diethyl-2-[4-(5-methoxyindol-1-yl)pyrimidin-2-yl]sulfanylethanamine
CID 162717927
5-[(5-methoxyindol-1-yl)methyl]-1,2-oxazole
CID 116619426
5-methoxy-1-prop-2-ynylindole
CID 45091362
2-[(5-methoxyindol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
CID 113422630

Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxyindol-1-yl)-2,1-benzoxazole?
The IUPAC name of 6-(5-methoxyindol-1-yl)-2,1-benzoxazole (CID 152663892) is 6-(5-methoxyindol-1-yl)-2,1-benzoxazole.
What is the SMILES notation for 6-(5-methoxyindol-1-yl)-2,1-benzoxazole?
The canonical SMILES for 6-(5-methoxyindol-1-yl)-2,1-benzoxazole is COc1ccc2c(ccn2-c2ccc3conc3c2)c1.
What is the InChIKey of 6-(5-methoxyindol-1-yl)-2,1-benzoxazole?
The InChIKey is ZKCPRFHXFRCIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c1-19-14-4-5-16-11(8-14)6-7-18(16)13-3-2-12-10-20-17-15(12)9-13/h2-10H,1H3.
What are the key properties of 6-(5-methoxyindol-1-yl)-2,1-benzoxazole?
6-(5-methoxyindol-1-yl)-2,1-benzoxazole has a molecular weight of 264.28 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxyindol-1-yl)-2,1-benzoxazole is sourced from PubChem (CID 152663892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).