methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrido[3,2-b]indole-3-carboxylate

C18H15N3O3 — CID 122688323

IUPACmethyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrido[3,2-b]indole-3-carboxylate
SMILESCOC(=O)c1cnc2c(c1)[nH]c1cc(-c3c(C)noc3C)ccc12
InChIInChI=1S/C18H15N3O3/c1-9-16(10(2)24-21-9)11-4-5-13-14(6-11)20-15-7-12(18(22)23-3)8-19-17(13)15/h4-8,20H,1-3H3
InChIKeyOKYAATRHLWUPQQ-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.77
Rot. Bonds2

About methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrido[3,2-b]indole-3-carboxylate

methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrido[3,2-b]indole-3-carboxylate (PubChem CID 122688323) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrido[3,2-b]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrido[3,2-b]indole-3-carboxylate
PubChem CID122688323
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Namemethyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrido[3,2-b]indole-3-carboxylate
SMILESCOC(=O)c1cnc2c(c1)[nH]c1cc(-c3c(C)noc3C)ccc12
InChIInChI=1S/C18H15N3O3/c1-9-16(10(2)24-21-9)11-4-5-13-14(6-11)20-15-7-12(18(22)23-3)8-19-17(13)15/h4-8,20H,1-3H3
InChIKeyOKYAATRHLWUPQQ-UHFFFAOYSA-N
XLogP3.77
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrido[3,2-b]indole-3-carboxylate?
The IUPAC name of methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrido[3,2-b]indole-3-carboxylate (CID 122688323) is methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrido[3,2-b]indole-3-carboxylate.
What is the SMILES notation for methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrido[3,2-b]indole-3-carboxylate?
The canonical SMILES for methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrido[3,2-b]indole-3-carboxylate is COC(=O)c1cnc2c(c1)[nH]c1cc(-c3c(C)noc3C)ccc12.
What is the InChIKey of methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrido[3,2-b]indole-3-carboxylate?
The InChIKey is OKYAATRHLWUPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-9-16(10(2)24-21-9)11-4-5-13-14(6-11)20-15-7-12(18(22)23-3)8-19-17(13)15/h4-8,20H,1-3H3.
What are the key properties of methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrido[3,2-b]indole-3-carboxylate?
methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrido[3,2-b]indole-3-carboxylate has a molecular weight of 321.34 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrido[3,2-b]indole-3-carboxylate is sourced from PubChem (CID 122688323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).