5-[(5-methoxyindol-1-yl)methyl]-1,2-oxazole

C13H12N2O2 — CID 116619426

IUPAC5-[(5-methoxyindol-1-yl)methyl]-1,2-oxazole
SMILESCOc1ccc2c(ccn2Cc2ccno2)c1
InChIInChI=1S/C13H12N2O2/c1-16-11-2-3-13-10(8-11)5-7-15(13)9-12-4-6-14-17-12/h2-8H,9H2,1H3
InChIKeyJVJWGUNTYVVGIF-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.69
Rot. Bonds3

About 5-[(5-methoxyindol-1-yl)methyl]-1,2-oxazole

5-[(5-methoxyindol-1-yl)methyl]-1,2-oxazole (PubChem CID 116619426) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-[(5-methoxyindol-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[(5-methoxyindol-1-yl)methyl]-1,2-oxazole
PubChem CID116619426
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name5-[(5-methoxyindol-1-yl)methyl]-1,2-oxazole
SMILESCOc1ccc2c(ccn2Cc2ccno2)c1
InChIInChI=1S/C13H12N2O2/c1-16-11-2-3-13-10(8-11)5-7-15(13)9-12-4-6-14-17-12/h2-8H,9H2,1H3
InChIKeyJVJWGUNTYVVGIF-UHFFFAOYSA-N
XLogP2.69
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methoxyindol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
CID 113422630
5-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]indole
CID 116619485
5-fluoro-2-[(5-methoxyindol-1-yl)methyl]aniline
CID 64768625
5-methoxy-1-[(5-methyl-3-pyridinyl)methyl]indole
CID 102879209
3-cyclopropyl-5-[(5-methoxyindol-1-yl)methyl]-1,2,4-oxadiazole
CID 115619569
3-[4-[(5-methoxyindol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139532692
3-[(5-ethoxyindol-1-yl)methyl]-5-(methoxymethyl)-1,2-oxazole
CID 116623924
[2-[(5-methoxyindol-1-yl)methyl]phenyl]methanamine
CID 43329869
2-bromo-5-[(5-methoxyindol-1-yl)methyl]aniline
CID 115557310
5-methoxy-1-prop-2-ynylindole
CID 45091362
[4-[(5-methoxyindol-1-yl)methyl]phenoxy]boronic acid
CID 169006286
5-methoxy-1-(3-methylbut-2-enyl)indole
CID 116619398

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methoxyindol-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 5-[(5-methoxyindol-1-yl)methyl]-1,2-oxazole (CID 116619426) is 5-[(5-methoxyindol-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 5-[(5-methoxyindol-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 5-[(5-methoxyindol-1-yl)methyl]-1,2-oxazole is COc1ccc2c(ccn2Cc2ccno2)c1.
What is the InChIKey of 5-[(5-methoxyindol-1-yl)methyl]-1,2-oxazole?
The InChIKey is JVJWGUNTYVVGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-16-11-2-3-13-10(8-11)5-7-15(13)9-12-4-6-14-17-12/h2-8H,9H2,1H3.
What are the key properties of 5-[(5-methoxyindol-1-yl)methyl]-1,2-oxazole?
5-[(5-methoxyindol-1-yl)methyl]-1,2-oxazole has a molecular weight of 228.25 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methoxyindol-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 116619426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).