3-[(5-ethoxyindol-1-yl)methyl]-5-(methoxymethyl)-1,2-oxazole

C16H18N2O3 — CID 116623924

IUPAC3-[(5-ethoxyindol-1-yl)methyl]-5-(methoxymethyl)-1,2-oxazole
SMILESCCOc1ccc2c(ccn2Cc2cc(COC)on2)c1
InChIInChI=1S/C16H18N2O3/c1-3-20-14-4-5-16-12(8-14)6-7-18(16)10-13-9-15(11-19-2)21-17-13/h4-9H,3,10-11H2,1-2H3
InChIKeyLYUAGECCBJTLHC-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.22
Rot. Bonds6

About 3-[(5-ethoxyindol-1-yl)methyl]-5-(methoxymethyl)-1,2-oxazole

3-[(5-ethoxyindol-1-yl)methyl]-5-(methoxymethyl)-1,2-oxazole (PubChem CID 116623924) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[(5-ethoxyindol-1-yl)methyl]-5-(methoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-[(5-ethoxyindol-1-yl)methyl]-5-(methoxymethyl)-1,2-oxazole
PubChem CID116623924
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-[(5-ethoxyindol-1-yl)methyl]-5-(methoxymethyl)-1,2-oxazole
SMILESCCOc1ccc2c(ccn2Cc2cc(COC)on2)c1
InChIInChI=1S/C16H18N2O3/c1-3-20-14-4-5-16-12(8-14)6-7-18(16)10-13-9-15(11-19-2)21-17-13/h4-9H,3,10-11H2,1-2H3
InChIKeyLYUAGECCBJTLHC-UHFFFAOYSA-N
XLogP3.22
TPSA49.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]indol-5-yl]methanamine
CID 102915578
5-[(5-ethoxyindol-1-yl)methyl]-2-methyl-1,3-thiazole
CID 116624074
5-[(5-methoxyindol-1-yl)methyl]-1,2-oxazole
CID 116619426
1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]indol-7-yl]-N-methylmethanamine
CID 102914020
1-[(3,4-difluorophenyl)methyl]-5-ethoxyindole
CID 116623901
ethyl 4-(5-ethoxyindol-1-yl)-3-oxobutanoate
CID 80649255
1-(5-ethoxyindol-1-yl)-3-methylpentan-2-one
CID 80643029
N-cyclopropyl-2-(5-ethoxyindol-1-yl)-N-ethylacetamide
CID 116623952
1-cyclohexyl-2-(5-ethoxyindol-1-yl)ethanone
CID 104751578
5-ethoxy-1-(3-methylbutyl)indole
CID 110830943
4-(5-ethoxyindol-1-yl)butanenitrile
CID 110830965
1-[(3-bromothiophen-2-yl)methyl]-5-ethoxyindole
CID 116624048

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethoxyindol-1-yl)methyl]-5-(methoxymethyl)-1,2-oxazole?
The IUPAC name of 3-[(5-ethoxyindol-1-yl)methyl]-5-(methoxymethyl)-1,2-oxazole (CID 116623924) is 3-[(5-ethoxyindol-1-yl)methyl]-5-(methoxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-[(5-ethoxyindol-1-yl)methyl]-5-(methoxymethyl)-1,2-oxazole?
The canonical SMILES for 3-[(5-ethoxyindol-1-yl)methyl]-5-(methoxymethyl)-1,2-oxazole is CCOc1ccc2c(ccn2Cc2cc(COC)on2)c1.
What is the InChIKey of 3-[(5-ethoxyindol-1-yl)methyl]-5-(methoxymethyl)-1,2-oxazole?
The InChIKey is LYUAGECCBJTLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-20-14-4-5-16-12(8-14)6-7-18(16)10-13-9-15(11-19-2)21-17-13/h4-9H,3,10-11H2,1-2H3.
What are the key properties of 3-[(5-ethoxyindol-1-yl)methyl]-5-(methoxymethyl)-1,2-oxazole?
3-[(5-ethoxyindol-1-yl)methyl]-5-(methoxymethyl)-1,2-oxazole has a molecular weight of 286.33 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethoxyindol-1-yl)methyl]-5-(methoxymethyl)-1,2-oxazole is sourced from PubChem (CID 116623924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).