(3S)-3-(4-fluorophenyl)-1-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]indol-2-one

C24H18FN3O2 — CID 134954698

IUPAC(3S)-3-(4-fluorophenyl)-1-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]indol-2-one
SMILESCN1C(=O)[C@@](Cc2nnc(-c3ccccc3)o2)(c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C24H18FN3O2/c1-28-20-10-6-5-9-19(20)24(23(28)29,17-11-13-18(25)14-12-17)15-21-26-27-22(30-21)16-7-3-2-4-8-16/h2-14H,15H2,1H3/t24-/m0/s1
InChIKeyGVVAYVUVUNPMCJ-DEOSSOPVSA-N
MW399.43 g/mol
LogP4.38
Rot. Bonds4

About (3S)-3-(4-fluorophenyl)-1-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]indol-2-one

(3S)-3-(4-fluorophenyl)-1-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]indol-2-one (PubChem CID 134954698) has the molecular formula C24H18FN3O2 and a molecular weight of 399.43 g/mol. Its IUPAC name is (3S)-3-(4-fluorophenyl)-1-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]indol-2-one.

Molecular Properties

Compound Name(3S)-3-(4-fluorophenyl)-1-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]indol-2-one
PubChem CID134954698
Molecular FormulaC24H18FN3O2
Molecular Weight399.43 g/mol
Exact Mass399.14
IUPAC Name(3S)-3-(4-fluorophenyl)-1-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]indol-2-one
SMILESCN1C(=O)[C@@](Cc2nnc(-c3ccccc3)o2)(c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C24H18FN3O2/c1-28-20-10-6-5-9-19(20)24(23(28)29,17-11-13-18(25)14-12-17)15-21-26-27-22(30-21)16-7-3-2-4-8-16/h2-14H,15H2,1H3/t24-/m0/s1
InChIKeyGVVAYVUVUNPMCJ-DEOSSOPVSA-N
XLogP4.38
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-fluorophenyl)-1-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]indol-2-one?
The IUPAC name of (3S)-3-(4-fluorophenyl)-1-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]indol-2-one (CID 134954698) is (3S)-3-(4-fluorophenyl)-1-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]indol-2-one.
What is the SMILES notation for (3S)-3-(4-fluorophenyl)-1-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]indol-2-one?
The canonical SMILES for (3S)-3-(4-fluorophenyl)-1-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]indol-2-one is CN1C(=O)[C@@](Cc2nnc(-c3ccccc3)o2)(c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of (3S)-3-(4-fluorophenyl)-1-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]indol-2-one?
The InChIKey is GVVAYVUVUNPMCJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H18FN3O2/c1-28-20-10-6-5-9-19(20)24(23(28)29,17-11-13-18(25)14-12-17)15-21-26-27-22(30-21)16-7-3-2-4-8-16/h2-14H,15H2,1H3/t24-/m0/s1.
What are the key properties of (3S)-3-(4-fluorophenyl)-1-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]indol-2-one?
(3S)-3-(4-fluorophenyl)-1-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]indol-2-one has a molecular weight of 399.43 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-fluorophenyl)-1-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]indol-2-one is sourced from PubChem (CID 134954698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).