(3S,5S)-5-(2,5-difluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol

C14H15F2N3O2 — CID 100657073

IUPAC(3S,5S)-5-(2,5-difluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol
SMILESCc1nc(CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)no1
InChIInChI=1S/C14H15F2N3O2/c1-8-17-14(18-21-8)7-19-6-10(20)5-13(19)11-4-9(15)2-3-12(11)16/h2-4,10,13,20H,5-7H2,1H3/t10-,13-/m0/s1
InChIKeyPVZMGVLKBIPAMN-GWCFXTLKSA-N
MW295.29 g/mol
LogP1.96
Rot. Bonds3

About (3S,5S)-5-(2,5-difluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol

(3S,5S)-5-(2,5-difluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol (PubChem CID 100657073) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is (3S,5S)-5-(2,5-difluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-5-(2,5-difluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol
PubChem CID100657073
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name(3S,5S)-5-(2,5-difluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol
SMILESCc1nc(CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)no1
InChIInChI=1S/C14H15F2N3O2/c1-8-17-14(18-21-8)7-19-6-10(20)5-13(19)11-4-9(15)2-3-12(11)16/h2-4,10,13,20H,5-7H2,1H3/t10-,13-/m0/s1
InChIKeyPVZMGVLKBIPAMN-GWCFXTLKSA-N
XLogP1.96
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,5S)-5-(2,5-difluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol 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

(3R,5R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol
CID 129380433
(3S,5R)-5-(2,5-difluorophenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 129397668
(3S,5R)-5-(2,5-difluorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 129372719
5-(2,5-difluorophenyl)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidin-3-ol
CID 167918948
2-[(2R,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 129380422
(3S,5R)-1-[(5-chloro-1-methylimidazol-2-yl)methyl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol
CID 129380384
4-[[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzonitrile
CID 129471230
4-[[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzamide
CID 128975885
methyl 3-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]propanoate
CID 97240020
5-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol
CID 74507375
(3S,5S)-5-(2,5-difluorophenyl)-1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyrrolidin-3-ol
CID 129380364
(3R,5R)-5-(2,5-difluorophenyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
CID 129397654

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-(2,5-difluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S,5S)-5-(2,5-difluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol (CID 100657073) is (3S,5S)-5-(2,5-difluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,5S)-5-(2,5-difluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S,5S)-5-(2,5-difluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol is Cc1nc(CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)no1.
What is the InChIKey of (3S,5S)-5-(2,5-difluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol?
The InChIKey is PVZMGVLKBIPAMN-GWCFXTLKSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c1-8-17-14(18-21-8)7-19-6-10(20)5-13(19)11-4-9(15)2-3-12(11)16/h2-4,10,13,20H,5-7H2,1H3/t10-,13-/m0/s1.
What are the key properties of (3S,5S)-5-(2,5-difluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol?
(3S,5S)-5-(2,5-difluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol has a molecular weight of 295.29 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-(2,5-difluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 100657073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).