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

C27H19FN2O4 — CID 69111493

IUPACmethyl 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-phenylindole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C(=O)c3c(-c4cccc(F)c4)noc3C)cn(-c3ccccc3)c2c1
InChIInChI=1S/C27H19FN2O4/c1-16-24(25(29-34-16)17-7-6-8-19(28)13-17)26(31)22-15-30(20-9-4-3-5-10-20)23-14-18(27(32)33-2)11-12-21(22)23/h3-15H,1-2H3
InChIKeyYOEDDDRSNIAJQH-UHFFFAOYSA-N
MW454.46 g/mol
LogP5.75
Rot. Bonds5

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

methyl 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-phenylindole-6-carboxylate (PubChem CID 69111493) has the molecular formula C27H19FN2O4 and a molecular weight of 454.46 g/mol. Its IUPAC name is methyl 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-phenylindole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-phenylindole-6-carboxylate
PubChem CID69111493
Molecular FormulaC27H19FN2O4
Molecular Weight454.46 g/mol
Exact Mass454.13
IUPAC Namemethyl 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-phenylindole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C(=O)c3c(-c4cccc(F)c4)noc3C)cn(-c3ccccc3)c2c1
InChIInChI=1S/C27H19FN2O4/c1-16-24(25(29-34-16)17-7-6-8-19(28)13-17)26(31)22-15-30(20-9-4-3-5-10-20)23-14-18(27(32)33-2)11-12-21(22)23/h3-15H,1-2H3
InChIKeyYOEDDDRSNIAJQH-UHFFFAOYSA-N
XLogP5.75
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.46
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-phenylindole-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-phenylindole-6-carboxylate?
The IUPAC name of methyl 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-phenylindole-6-carboxylate (CID 69111493) is methyl 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-phenylindole-6-carboxylate.
What is the SMILES notation for methyl 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-phenylindole-6-carboxylate?
The canonical SMILES for methyl 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-phenylindole-6-carboxylate is COC(=O)c1ccc2c(C(=O)c3c(-c4cccc(F)c4)noc3C)cn(-c3ccccc3)c2c1.
What is the InChIKey of methyl 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-phenylindole-6-carboxylate?
The InChIKey is YOEDDDRSNIAJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN2O4/c1-16-24(25(29-34-16)17-7-6-8-19(28)13-17)26(31)22-15-30(20-9-4-3-5-10-20)23-14-18(27(32)33-2)11-12-21(22)23/h3-15H,1-2H3.
What are the key properties of methyl 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-phenylindole-6-carboxylate?
methyl 3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-phenylindole-6-carboxylate has a molecular weight of 454.46 g/mol, XLogP of 5.75, 5 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-phenylindole-6-carboxylate is sourced from PubChem (CID 69111493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).