5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-methyl-1,2-oxazole

C17H19N3O2 — CID 77080360

IUPAC5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-methyl-1,2-oxazole
SMILESCOc1ccc2[nH]c3c(c2c1)CN(Cc1cc(C)no1)CC3
InChIInChI=1S/C17H19N3O2/c1-11-7-13(22-19-11)9-20-6-5-17-15(10-20)14-8-12(21-2)3-4-16(14)18-17/h3-4,7-8,18H,5-6,9-10H2,1-2H3
InChIKeySDTQNFPHMGNICM-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.03
Rot. Bonds3

About 5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-methyl-1,2-oxazole

5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-methyl-1,2-oxazole (PubChem CID 77080360) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-methyl-1,2-oxazole
PubChem CID77080360
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-methyl-1,2-oxazole
SMILESCOc1ccc2[nH]c3c(c2c1)CN(Cc1cc(C)no1)CC3
InChIInChI=1S/C17H19N3O2/c1-11-7-13(22-19-11)9-20-6-5-17-15(10-20)14-8-12(21-2)3-4-16(14)18-17/h3-4,7-8,18H,5-6,9-10H2,1-2H3
InChIKeySDTQNFPHMGNICM-UHFFFAOYSA-N
XLogP3.03
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 25296773
[6-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-methylpyrimidin-4-yl]methanamine
CID 56702975
2-[[5-(methoxymethyl)furan-2-yl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
CID 167927330
8-methoxy-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 113089353
2-[3-(2,3-dihydro-1H-indol-7-yl)propyl]-8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 177310182
8-ethoxy-2-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 16673120
2-[(3-methoxyphenyl)methyl]-8-methyl-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one
CID 46385152
(2R)-9-methoxy-2,3-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole
CID 168957107
2-(2-bromophenyl)-1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 113089347
8-methoxy-2-(5-methylthiophen-2-yl)sulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 113089370
8-methoxy-N-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
CID 113089350
(4-fluorophenyl)-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 4909744

Frequently Asked Questions

What is the IUPAC name of 5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-methyl-1,2-oxazole (CID 77080360) is 5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-methyl-1,2-oxazole is COc1ccc2[nH]c3c(c2c1)CN(Cc1cc(C)no1)CC3.
What is the InChIKey of 5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-methyl-1,2-oxazole?
The InChIKey is SDTQNFPHMGNICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11-7-13(22-19-11)9-20-6-5-17-15(10-20)14-8-12(21-2)3-4-16(14)18-17/h3-4,7-8,18H,5-6,9-10H2,1-2H3.
What are the key properties of 5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-methyl-1,2-oxazole?
5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-methyl-1,2-oxazole has a molecular weight of 297.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 77080360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).