N-[(2-fluorophenyl)methyl]-2-[(2R)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide

C20H20FN5O2 — CID 95121139

IUPACN-[(2-fluorophenyl)methyl]-2-[(2R)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@@H]1c1nc(-c2ccncc2)no1)NCc1ccccc1F
InChIInChI=1S/C20H20FN5O2/c21-16-5-2-1-4-15(16)12-23-18(27)13-26-11-3-6-17(26)20-24-19(25-28-20)14-7-9-22-10-8-14/h1-2,4-5,7-10,17H,3,6,11-13H2,(H,23,27)/t17-/m1/s1
InChIKeyIRXBJRNKKRGQKE-QGZVFWFLSA-N
MW381.41 g/mol
LogP2.72
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-2-[(2R)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide

N-[(2-fluorophenyl)methyl]-2-[(2R)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide (PubChem CID 95121139) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[(2R)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[(2R)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide
PubChem CID95121139
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[(2R)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@@H]1c1nc(-c2ccncc2)no1)NCc1ccccc1F
InChIInChI=1S/C20H20FN5O2/c21-16-5-2-1-4-15(16)12-23-18(27)13-26-11-3-6-17(26)20-24-19(25-28-20)14-7-9-22-10-8-14/h1-2,4-5,7-10,17H,3,6,11-13H2,(H,23,27)/t17-/m1/s1
InChIKeyIRXBJRNKKRGQKE-QGZVFWFLSA-N
XLogP2.72
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-fluorophenyl)methyl]-2-[(2R)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide 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

N-benzyl-2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 95104334
5-[(2R)-1-benzylpyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95147378
2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 95104341
N-[5-[5-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2-methoxyacetamide
CID 162799175
N-[(2-fluorophenyl)methyl]-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
CID 75538356
5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191859
N-[(4-fluorophenyl)methyl]-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 53338110
[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 91888691
N-cyclohexyl-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 53177876
N-cyclohexyl-2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 95104314
5-[1-(cyclopropylmethyl)piperidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191879
N-[(2-fluorophenyl)methyl]-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177970

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[(2R)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[(2R)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide (CID 95121139) is N-[(2-fluorophenyl)methyl]-2-[(2R)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[(2R)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[(2R)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide is O=C(CN1CCC[C@@H]1c1nc(-c2ccncc2)no1)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[(2R)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is IRXBJRNKKRGQKE-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20FN5O2/c21-16-5-2-1-4-15(16)12-23-18(27)13-26-11-3-6-17(26)20-24-19(25-28-20)14-7-9-22-10-8-14/h1-2,4-5,7-10,17H,3,6,11-13H2,(H,23,27)/t17-/m1/s1.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[(2R)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide?
N-[(2-fluorophenyl)methyl]-2-[(2R)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 381.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[(2R)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95121139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).