methyl 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-methylindole-6-carboxylate

C22H17FN2O4 — CID 69111918

IUPACmethyl 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-methylindole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C(=O)c3c(-c4cccc(F)c4)noc3C)cn(C)c2c1
InChIInChI=1S/C22H17FN2O4/c1-12-19(20(24-29-12)13-5-4-6-15(23)9-13)21(26)17-11-25(2)18-10-14(22(27)28-3)7-8-16(17)18/h4-11H,1-3H3
InChIKeyBKROJDGSHFWNHC-UHFFFAOYSA-N
MW392.39 g/mol
LogP4.30
Rot. Bonds4

About methyl 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-methylindole-6-carboxylate

methyl 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-methylindole-6-carboxylate (PubChem CID 69111918) has the molecular formula C22H17FN2O4 and a molecular weight of 392.39 g/mol. Its IUPAC name is methyl 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-methylindole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-methylindole-6-carboxylate
PubChem CID69111918
Molecular FormulaC22H17FN2O4
Molecular Weight392.39 g/mol
Exact Mass392.12
IUPAC Namemethyl 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-methylindole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C(=O)c3c(-c4cccc(F)c4)noc3C)cn(C)c2c1
InChIInChI=1S/C22H17FN2O4/c1-12-19(20(24-29-12)13-5-4-6-15(23)9-13)21(26)17-11-25(2)18-10-14(22(27)28-3)7-8-16(17)18/h4-11H,1-3H3
InChIKeyBKROJDGSHFWNHC-UHFFFAOYSA-N
XLogP4.30
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-methylindole-6-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 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-methylindole-6-carboxylate?
The IUPAC name of methyl 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-methylindole-6-carboxylate (CID 69111918) is methyl 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-methylindole-6-carboxylate.
What is the SMILES notation for methyl 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-methylindole-6-carboxylate?
The canonical SMILES for methyl 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-methylindole-6-carboxylate is COC(=O)c1ccc2c(C(=O)c3c(-c4cccc(F)c4)noc3C)cn(C)c2c1.
What is the InChIKey of methyl 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-methylindole-6-carboxylate?
The InChIKey is BKROJDGSHFWNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O4/c1-12-19(20(24-29-12)13-5-4-6-15(23)9-13)21(26)17-11-25(2)18-10-14(22(27)28-3)7-8-16(17)18/h4-11H,1-3H3.
What are the key properties of methyl 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-methylindole-6-carboxylate?
methyl 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-methylindole-6-carboxylate has a molecular weight of 392.39 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-methylindole-6-carboxylate is sourced from PubChem (CID 69111918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).