methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5H-pyrido[3,2-b]indole-3-carboxylate

C18H14FN3O3 — CID 130320058

IUPACmethyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5H-pyrido[3,2-b]indole-3-carboxylate
SMILESCOC(=O)c1cnc2c(c1)[nH]c1cc(-c3c(C)noc3C)cc(F)c12
InChIInChI=1S/C18H14FN3O3/c1-8-15(9(2)25-22-8)10-4-12(19)16-13(5-10)21-14-6-11(18(23)24-3)7-20-17(14)16/h4-7,21H,1-3H3
InChIKeyYICZTEXKWUFKCS-UHFFFAOYSA-N
MW339.33 g/mol
LogP3.91
Rot. Bonds2

About methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5H-pyrido[3,2-b]indole-3-carboxylate

methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5H-pyrido[3,2-b]indole-3-carboxylate (PubChem CID 130320058) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5H-pyrido[3,2-b]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5H-pyrido[3,2-b]indole-3-carboxylate
PubChem CID130320058
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC Namemethyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5H-pyrido[3,2-b]indole-3-carboxylate
SMILESCOC(=O)c1cnc2c(c1)[nH]c1cc(-c3c(C)noc3C)cc(F)c12
InChIInChI=1S/C18H14FN3O3/c1-8-15(9(2)25-22-8)10-4-12(19)16-13(5-10)21-14-6-11(18(23)24-3)7-20-17(14)16/h4-7,21H,1-3H3
InChIKeyYICZTEXKWUFKCS-UHFFFAOYSA-N
XLogP3.91
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5H-pyrido[3,2-b]indole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5H-pyrido[3,2-b]indole-3-carboxylate?
The IUPAC name of methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5H-pyrido[3,2-b]indole-3-carboxylate (CID 130320058) is methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5H-pyrido[3,2-b]indole-3-carboxylate.
What is the SMILES notation for methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5H-pyrido[3,2-b]indole-3-carboxylate?
The canonical SMILES for methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5H-pyrido[3,2-b]indole-3-carboxylate is COC(=O)c1cnc2c(c1)[nH]c1cc(-c3c(C)noc3C)cc(F)c12.
What is the InChIKey of methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5H-pyrido[3,2-b]indole-3-carboxylate?
The InChIKey is YICZTEXKWUFKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3/c1-8-15(9(2)25-22-8)10-4-12(19)16-13(5-10)21-14-6-11(18(23)24-3)7-20-17(14)16/h4-7,21H,1-3H3.
What are the key properties of methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5H-pyrido[3,2-b]indole-3-carboxylate?
methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5H-pyrido[3,2-b]indole-3-carboxylate has a molecular weight of 339.33 g/mol, XLogP of 3.91, 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)-9-fluoro-5H-pyrido[3,2-b]indole-3-carboxylate is sourced from PubChem (CID 130320058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).