(1S,2S)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1H-inden-2-ol

C18H16N2O2 — CID 133119843

IUPAC(1S,2S)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1H-inden-2-ol
SMILESCc1nnc(-c2cccc([C@H]3c4ccccc4C[C@@H]3O)c2)o1
InChIInChI=1S/C18H16N2O2/c1-11-19-20-18(22-11)14-7-4-6-13(9-14)17-15-8-3-2-5-12(15)10-16(17)21/h2-9,16-17,21H,10H2,1H3/t16-,17-/m0/s1
InChIKeyJPCUZZIWRLQNFL-IRXDYDNUSA-N
MW292.34 g/mol
LogP3.09
Rot. Bonds2

About (1S,2S)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1H-inden-2-ol

(1S,2S)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1H-inden-2-ol (PubChem CID 133119843) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (1S,2S)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1H-inden-2-ol
PubChem CID133119843
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name(1S,2S)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1H-inden-2-ol
SMILESCc1nnc(-c2cccc([C@H]3c4ccccc4C[C@@H]3O)c2)o1
InChIInChI=1S/C18H16N2O2/c1-11-19-20-18(22-11)14-7-4-6-13(9-14)17-15-8-3-2-5-12(15)10-16(17)21/h2-9,16-17,21H,10H2,1H3/t16-,17-/m0/s1
InChIKeyJPCUZZIWRLQNFL-IRXDYDNUSA-N
XLogP3.09
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,2S)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1H-inden-2-ol with MolForge

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Related Compounds

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 97249203
ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 166546394
ethane;3-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile
CID 144584571
2-methyl-5-[3-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole;2-methyl-5-[3-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]phenyl]-1,3,4-oxadiazole
CID 159974072
[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 155948637
methane;2-methyl-5-(3-prop-1-ynylphenyl)-1,3,4-oxadiazole
CID 161302444
2-(3,4-dimethylphenyl)-5-methyl-1,3,4-oxadiazole
CID 53017476
6-(hydroxymethyl)-2-[3-[3-hydroxy-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]oxane-3,4-diol
CID 137037442
1-cyclohexyl-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 110748367
N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 131947918
2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3H-isoindol-1-one
CID 163382012
N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 110725699

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1S,2S)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1H-inden-2-ol (CID 133119843) is (1S,2S)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1S,2S)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1S,2S)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1H-inden-2-ol is Cc1nnc(-c2cccc([C@H]3c4ccccc4C[C@@H]3O)c2)o1.
What is the InChIKey of (1S,2S)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is JPCUZZIWRLQNFL-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-11-19-20-18(22-11)14-7-4-6-13(9-14)17-15-8-3-2-5-12(15)10-16(17)21/h2-9,16-17,21H,10H2,1H3/t16-,17-/m0/s1.
What are the key properties of (1S,2S)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1H-inden-2-ol?
(1S,2S)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 292.34 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 133119843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).