3-[4-[[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]phenyl]-5-methyl-1,2,4-oxadiazole

C27H23FN2O3 — CID 134387836

IUPAC3-[4-[[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]phenyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(Oc3ccc(F)c4c3CCC4Oc3ccc(C4CC4)cc3)cc2)no1
InChIInChI=1S/C27H23FN2O3/c1-16-29-27(30-33-16)19-6-10-20(11-7-19)31-24-15-13-23(28)26-22(24)12-14-25(26)32-21-8-4-18(5-9-21)17-2-3-17/h4-11,13,15,17,25H,2-3,12,14H2,1H3
InChIKeyCGDZKBMSTWXXSP-UHFFFAOYSA-N
MW442.49 g/mol
LogP6.92
Rot. Bonds6

About 3-[4-[[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]phenyl]-5-methyl-1,2,4-oxadiazole

3-[4-[[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]phenyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 134387836) has the molecular formula C27H23FN2O3 and a molecular weight of 442.49 g/mol. Its IUPAC name is 3-[4-[[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]phenyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-[[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]phenyl]-5-methyl-1,2,4-oxadiazole
PubChem CID134387836
Molecular FormulaC27H23FN2O3
Molecular Weight442.49 g/mol
Exact Mass442.17
IUPAC Name3-[4-[[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]phenyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(Oc3ccc(F)c4c3CCC4Oc3ccc(C4CC4)cc3)cc2)no1
InChIInChI=1S/C27H23FN2O3/c1-16-29-27(30-33-16)19-6-10-20(11-7-19)31-24-15-13-23(28)26-22(24)12-14-25(26)32-21-8-4-18(5-9-21)17-2-3-17/h4-11,13,15,17,25H,2-3,12,14H2,1H3
InChIKeyCGDZKBMSTWXXSP-UHFFFAOYSA-N
XLogP6.92
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.49
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-[[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]phenyl]-5-methyl-1,2,4-oxadiazole with MolForge

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Related Compounds

trans-ethyl (1S,2S)-2-[4-[[(1R)-7-fluoro-4-(4-methylphenoxy)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylate
CID 163857930
(1S)-2-[4-[[7-fluoro-4-[4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid
CID 134387807
4-[[(1R)-1-[4-[(1S,2S)-2-ethoxycarbonylcyclopropyl]phenoxy]-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]benzoic acid
CID 118093746
2-fluoro-6-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]benzonitrile
CID 51202751
trans-ethyl (1S,2S)-2-[4-[[(1R)-4-[4-(2-acetyloxyethoxy)phenoxy]-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylate
CID 118099585
ethyl 2-[4-[[7-fluoro-4-[4-(2-hydroxy-2-methylpropoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylate
CID 169493680
(2Z)-2-[6-[[(1R)-7-fluoro-4-[4-(2-methyltetrazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]-1-benzofuran-3-ylidene]acetic acid
CID 144638196
4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine
CID 126626678
trans-(1S,2S)-2-[4-[[(1R)-4-[4-(cyclopropylmethylcarbamoyl)phenoxy]-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid
CID 118099622
trans-ethyl (1S,2S)-2-[4-[[(1R)-7-fluoro-4-(1-methylindazol-6-yl)oxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylate
CID 118099601
5-[4-[(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]-2H-tetrazole
CID 123571859
3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole
CID 684002

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]phenyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[4-[[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]phenyl]-5-methyl-1,2,4-oxadiazole (CID 134387836) is 3-[4-[[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]phenyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-[[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]phenyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-[[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]phenyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(-c2ccc(Oc3ccc(F)c4c3CCC4Oc3ccc(C4CC4)cc3)cc2)no1.
What is the InChIKey of 3-[4-[[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]phenyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is CGDZKBMSTWXXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN2O3/c1-16-29-27(30-33-16)19-6-10-20(11-7-19)31-24-15-13-23(28)26-22(24)12-14-25(26)32-21-8-4-18(5-9-21)17-2-3-17/h4-11,13,15,17,25H,2-3,12,14H2,1H3.
What are the key properties of 3-[4-[[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]phenyl]-5-methyl-1,2,4-oxadiazole?
3-[4-[[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]phenyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 442.49 g/mol, XLogP of 6.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]phenyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 134387836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).