2-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-fluoro-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3H-isoindol-1-one

C24H24FN3O3 — CID 163382141

IUPAC2-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-fluoro-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3H-isoindol-1-one
SMILESCc1nnc(-c2ccc(-c3cc(F)cc4c3C(=O)N(C(C3CC3)C(C)(C)O)C4)cc2)o1
InChIInChI=1S/C24H24FN3O3/c1-13-26-27-22(31-13)16-8-4-14(5-9-16)19-11-18(25)10-17-12-28(23(29)20(17)19)21(15-6-7-15)24(2,3)30/h4-5,8-11,15,21,30H,6-7,12H2,1-3H3
InChIKeyAJMLNNUPHKCZGE-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.36
Rot. Bonds5

About 2-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-fluoro-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3H-isoindol-1-one

2-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-fluoro-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3H-isoindol-1-one (PubChem CID 163382141) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is 2-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-fluoro-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-fluoro-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3H-isoindol-1-one
PubChem CID163382141
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name2-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-fluoro-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3H-isoindol-1-one
SMILESCc1nnc(-c2ccc(-c3cc(F)cc4c3C(=O)N(C(C3CC3)C(C)(C)O)C4)cc2)o1
InChIInChI=1S/C24H24FN3O3/c1-13-26-27-22(31-13)16-8-4-14(5-9-16)19-11-18(25)10-17-12-28(23(29)20(17)19)21(15-6-7-15)24(2,3)30/h4-5,8-11,15,21,30H,6-7,12H2,1-3H3
InChIKeyAJMLNNUPHKCZGE-UHFFFAOYSA-N
XLogP4.36
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-fluoro-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3H-isoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-5-fluoro-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3H-isoindol-1-one
CID 163382318
2-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-methyl-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3H-isoindol-1-one
CID 163382013
2-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-fluoro-7-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]-3H-isoindol-1-one
CID 163382466
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
2-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-7-[2-fluoro-3-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3H-isoindol-1-one
CID 163381890
2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3H-isoindol-1-one
CID 163382256
2-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-7-(1,3-dimethylindazol-5-yl)-6-fluoro-3H-isoindol-1-one
CID 163382195
2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-[1-methyl-3-(trifluoromethyl)indazol-5-yl]-3H-isoindol-1-one
CID 163381891
3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-(1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl)-3H-isoindol-1-one
CID 170942144
2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(1-methylindazol-3-yl)-3H-isoindol-1-one
CID 163382306
ethanimidoyl 4-[2-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-3-oxo-1H-isoindol-4-yl]-3-fluoro-2-methylbenzenecarboximidate
CID 163382375
N-(1-cyclopropylethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 21078781

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-fluoro-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3H-isoindol-1-one?
The IUPAC name of 2-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-fluoro-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3H-isoindol-1-one (CID 163382141) is 2-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-fluoro-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-fluoro-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3H-isoindol-1-one?
The canonical SMILES for 2-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-fluoro-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3H-isoindol-1-one is Cc1nnc(-c2ccc(-c3cc(F)cc4c3C(=O)N(C(C3CC3)C(C)(C)O)C4)cc2)o1.
What is the InChIKey of 2-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-fluoro-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3H-isoindol-1-one?
The InChIKey is AJMLNNUPHKCZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-13-26-27-22(31-13)16-8-4-14(5-9-16)19-11-18(25)10-17-12-28(23(29)20(17)19)21(15-6-7-15)24(2,3)30/h4-5,8-11,15,21,30H,6-7,12H2,1-3H3.
What are the key properties of 2-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-fluoro-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3H-isoindol-1-one?
2-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-fluoro-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3H-isoindol-1-one has a molecular weight of 421.47 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-fluoro-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3H-isoindol-1-one is sourced from PubChem (CID 163382141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).