3-(4-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole

C18H16FN3O — CID 25392984

IUPAC3-(4-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole
SMILESC[C@H]1Cc2ccccc2N1Cc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C18H16FN3O/c1-12-10-14-4-2-3-5-16(14)22(12)11-17-20-18(21-23-17)13-6-8-15(19)9-7-13/h2-9,12H,10-11H2,1H3/t12-/m0/s1
InChIKeyMBVVCSCFTBVLRG-LBPRGKRZSA-N
MW309.34 g/mol
LogP3.83
Rot. Bonds3

About 3-(4-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole

3-(4-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 25392984) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID25392984
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name3-(4-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole
SMILESC[C@H]1Cc2ccccc2N1Cc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C18H16FN3O/c1-12-10-14-4-2-3-5-16(14)22(12)11-17-20-18(21-23-17)13-6-8-15(19)9-7-13/h2-9,12H,10-11H2,1H3/t12-/m0/s1
InChIKeyMBVVCSCFTBVLRG-LBPRGKRZSA-N
XLogP3.83
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole (CID 25392984) is 3-(4-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole is C[C@H]1Cc2ccccc2N1Cc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 3-(4-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is MBVVCSCFTBVLRG-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-12-10-14-4-2-3-5-16(14)22(12)11-17-20-18(21-23-17)13-6-8-15(19)9-7-13/h2-9,12H,10-11H2,1H3/t12-/m0/s1.
What are the key properties of 3-(4-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole?
3-(4-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 309.34 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 25392984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).