[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone

C21H23N5O3 — CID 135113014

IUPAC[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C[C@@H]2CN(C(=O)c3ccc(-c4noc(C5CC5)n4)cc3)C[C@@H]2O)n[nH]1
InChIInChI=1S/C21H23N5O3/c1-12-8-17(24-23-12)9-16-10-26(11-18(16)27)21(28)15-6-2-13(3-7-15)19-22-20(29-25-19)14-4-5-14/h2-3,6-8,14,16,18,27H,4-5,9-11H2,1H3,(H,23,24)/t16-,18+/m1/s1
InChIKeyAYASOAIUHWLAII-AEFFLSMTSA-N
MW393.45 g/mol
LogP2.32
Rot. Bonds5

About [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone

[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 135113014) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID135113014
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C[C@@H]2CN(C(=O)c3ccc(-c4noc(C5CC5)n4)cc3)C[C@@H]2O)n[nH]1
InChIInChI=1S/C21H23N5O3/c1-12-8-17(24-23-12)9-16-10-26(11-18(16)27)21(28)15-6-2-13(3-7-15)19-22-20(29-25-19)14-4-5-14/h2-3,6-8,14,16,18,27H,4-5,9-11H2,1H3,(H,23,24)/t16-,18+/m1/s1
InChIKeyAYASOAIUHWLAII-AEFFLSMTSA-N
XLogP2.32
TPSA108.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]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,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone
CID 155503480
[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(4-propoxyphenyl)methanone
CID 135103871
[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)methanone
CID 135108218
(5,6-dimethyl-3-pyridinyl)-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 135096835
[2-(4-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 134710279
(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 135104908
[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 155499944
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 3590042
[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 135120841
ethyl 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate
CID 53429627
[3-(3-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone;formic acid
CID 155971925
2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]-6-methylpyran-4-one
CID 135101999

Frequently Asked Questions

What is the IUPAC name of [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone (CID 135113014) is [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone is Cc1cc(C[C@@H]2CN(C(=O)c3ccc(-c4noc(C5CC5)n4)cc3)C[C@@H]2O)n[nH]1.
What is the InChIKey of [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is AYASOAIUHWLAII-AEFFLSMTSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-12-8-17(24-23-12)9-16-10-26(11-18(16)27)21(28)15-6-2-13(3-7-15)19-22-20(29-25-19)14-4-5-14/h2-3,6-8,14,16,18,27H,4-5,9-11H2,1H3,(H,23,24)/t16-,18+/m1/s1.
What are the key properties of [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 393.45 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 135113014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).