[(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone

C18H16F2N6O2 — CID 99757731

IUPAC[(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)ccc1F)N1CC[C@@H](n2cc(-c3nc(C4CC4)no3)nn2)C1
InChIInChI=1S/C18H16F2N6O2/c19-11-3-4-14(20)13(7-11)18(27)25-6-5-12(8-25)26-9-15(22-24-26)17-21-16(23-28-17)10-1-2-10/h3-4,7,9-10,12H,1-2,5-6,8H2/t12-/m1/s1
InChIKeyVUNAXPWWYYIKSF-GFCCVEGCSA-N
MW386.36 g/mol
LogP2.57
Rot. Bonds4

About [(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone

[(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone (PubChem CID 99757731) has the molecular formula C18H16F2N6O2 and a molecular weight of 386.36 g/mol. Its IUPAC name is [(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone
PubChem CID99757731
Molecular FormulaC18H16F2N6O2
Molecular Weight386.36 g/mol
Exact Mass386.13
IUPAC Name[(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)ccc1F)N1CC[C@@H](n2cc(-c3nc(C4CC4)no3)nn2)C1
InChIInChI=1S/C18H16F2N6O2/c19-11-3-4-14(20)13(7-11)18(27)25-6-5-12(8-25)26-9-15(22-24-26)17-21-16(23-28-17)10-1-2-10/h3-4,7,9-10,12H,1-2,5-6,8H2/t12-/m1/s1
InChIKeyVUNAXPWWYYIKSF-GFCCVEGCSA-N
XLogP2.57
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone 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)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone
CID 99757755
(2,5-difluorophenyl)-[(3R)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
CID 99757455
(5-chloro-2-fluorophenyl)-[(3S)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
CID 99757450
1-[(3S)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 99757740
(2,5-difluorophenyl)-[(3R)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 99757333
[(3S)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 99757762
[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 91892320
[(3R)-3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 99759333
[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 91891985
(2,4-dimethylphenyl)-[(3R)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
CID 99757441
(2,5-difluorophenyl)-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 53121835
(2-chloro-4-fluorophenyl)-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91891865

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone?
The IUPAC name of [(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone (CID 99757731) is [(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone.
What is the SMILES notation for [(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone?
The canonical SMILES for [(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone is O=C(c1cc(F)ccc1F)N1CC[C@@H](n2cc(-c3nc(C4CC4)no3)nn2)C1.
What is the InChIKey of [(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone?
The InChIKey is VUNAXPWWYYIKSF-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16F2N6O2/c19-11-3-4-14(20)13(7-11)18(27)25-6-5-12(8-25)26-9-15(22-24-26)17-21-16(23-28-17)10-1-2-10/h3-4,7,9-10,12H,1-2,5-6,8H2/t12-/m1/s1.
What are the key properties of [(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone?
[(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone has a molecular weight of 386.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone is sourced from PubChem (CID 99757731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).