5-[5-[3-(difluoromethoxy)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one

C25H25F2N3O5 — CID 138703229

IUPAC5-[5-[3-(difluoromethoxy)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CC3CC(=O)N(CCO)C43)no2)cc1OC(F)F
InChIInChI=1S/C25H25F2N3O5/c1-13(2)33-19-7-6-14(11-20(19)34-25(26)27)24-28-23(29-35-24)17-5-3-4-16-18(17)10-15-12-21(32)30(8-9-31)22(15)16/h3-7,11,13,15,22,25,31H,8-10,12H2,1-2H3
InChIKeyVCGWYRSHVRTACW-UHFFFAOYSA-N
MW485.49 g/mol
LogP4.23
Rot. Bonds8

About 5-[5-[3-(difluoromethoxy)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one

5-[5-[3-(difluoromethoxy)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one (PubChem CID 138703229) has the molecular formula C25H25F2N3O5 and a molecular weight of 485.49 g/mol. Its IUPAC name is 5-[5-[3-(difluoromethoxy)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one.

Molecular Properties

Compound Name5-[5-[3-(difluoromethoxy)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one
PubChem CID138703229
Molecular FormulaC25H25F2N3O5
Molecular Weight485.49 g/mol
Exact Mass485.18
IUPAC Name5-[5-[3-(difluoromethoxy)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CC3CC(=O)N(CCO)C43)no2)cc1OC(F)F
InChIInChI=1S/C25H25F2N3O5/c1-13(2)33-19-7-6-14(11-20(19)34-25(26)27)24-28-23(29-35-24)17-5-3-4-16-18(17)10-15-12-21(32)30(8-9-31)22(15)16/h3-7,11,13,15,22,25,31H,8-10,12H2,1-2H3
InChIKeyVCGWYRSHVRTACW-UHFFFAOYSA-N
XLogP4.23
TPSA97.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[5-[3-(difluoromethoxy)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one with MolForge

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Related Compounds

(3aR,8bS)-5-[5-[3-(difluoromethyl)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one
CID 145445691
5-[5-[3-(difluoromethyl)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-1-propyl-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one
CID 138704985
3-[(3aR,8bS)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2-oxo-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-1-yl]propanoic acid
CID 145445673
5-[3-[(3aR,8bS)-1-(2,3-dihydroxypropyl)-2-oxo-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-5-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
CID 145445598
(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one
CID 145445529
(3aS,8bR)-5-[5-(4-cyclopropyloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one
CID 145445675
2-[(3aR,8bS)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2-oxo-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-1-yl]acetic acid
CID 158839988
(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(2-isocyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one
CID 158847546
2-[5-[5-[3-(difluoromethyl)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]ethanol
CID 145445642
5-[5-[(3aR,8bS)-1-(2-hydroxyethyl)-2-oxo-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-5-yl]-1,3,4-oxadiazol-2-yl]-2-propan-2-yloxybenzonitrile
CID 138703218
(3aR,8bS)-5-[5-[4-(cyclopropylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-5-[5-[4-(cyclopropylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-[4-(methoxymethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one
CID 158099055
2-[(3aS,8bR)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2-oxo-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-1-yl]-N,N-dimethylacetamide
CID 145445696

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-(difluoromethoxy)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one?
The IUPAC name of 5-[5-[3-(difluoromethoxy)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one (CID 138703229) is 5-[5-[3-(difluoromethoxy)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one.
What is the SMILES notation for 5-[5-[3-(difluoromethoxy)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one?
The canonical SMILES for 5-[5-[3-(difluoromethoxy)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC3CC(=O)N(CCO)C43)no2)cc1OC(F)F.
What is the InChIKey of 5-[5-[3-(difluoromethoxy)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one?
The InChIKey is VCGWYRSHVRTACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3O5/c1-13(2)33-19-7-6-14(11-20(19)34-25(26)27)24-28-23(29-35-24)17-5-3-4-16-18(17)10-15-12-21(32)30(8-9-31)22(15)16/h3-7,11,13,15,22,25,31H,8-10,12H2,1-2H3.
What are the key properties of 5-[5-[3-(difluoromethoxy)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one?
5-[5-[3-(difluoromethoxy)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one has a molecular weight of 485.49 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-(difluoromethoxy)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one is sourced from PubChem (CID 138703229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).