(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-pyridin-4-ylpropyl]pyrrolidine-1-carboxamide

C17H23N5O3 — CID 124624159

IUPAC(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-pyridin-4-ylpropyl]pyrrolidine-1-carboxamide
SMILESCC[C@@H](NC(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1)c1ccncc1
InChIInChI=1S/C17H23N5O3/c1-4-14(12-5-7-18-8-6-12)20-17(23)22-10-13(24-3)9-15(22)16-19-11(2)21-25-16/h5-8,13-15H,4,9-10H2,1-3H3,(H,20,23)/t13-,14+,15+/m0/s1
InChIKeyDRUYTLCENNQCSV-RRFJBIMHSA-N
MW345.40 g/mol
LogP2.40
Rot. Bonds5

About (2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-pyridin-4-ylpropyl]pyrrolidine-1-carboxamide

(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-pyridin-4-ylpropyl]pyrrolidine-1-carboxamide (PubChem CID 124624159) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-pyridin-4-ylpropyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-pyridin-4-ylpropyl]pyrrolidine-1-carboxamide
PubChem CID124624159
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-pyridin-4-ylpropyl]pyrrolidine-1-carboxamide
SMILESCC[C@@H](NC(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1)c1ccncc1
InChIInChI=1S/C17H23N5O3/c1-4-14(12-5-7-18-8-6-12)20-17(23)22-10-13(24-3)9-15(22)16-19-11(2)21-25-16/h5-8,13-15H,4,9-10H2,1-3H3,(H,20,23)/t13-,14+,15+/m0/s1
InChIKeyDRUYTLCENNQCSV-RRFJBIMHSA-N
XLogP2.40
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-pyridin-4-ylpropyl]pyrrolidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129400410
(2S)-1-[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 100629190
2-methoxy-1-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 128998715
1-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 128973006
(2R)-1-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-methyl-3-thiophen-2-ylpropan-1-one
CID 129326408
(2R,4S)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 126774419
(4,5-diethylfuran-2-yl)-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 128966074
1-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-methyl-2-thiophen-2-ylpropan-1-one
CID 129004741
2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 128965645
2-[benzyl(methyl)amino]-1-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 129004728
[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone
CID 129400417
2-[4-[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-2,6-dimethylphenoxy]acetic acid
CID 136583905

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-pyridin-4-ylpropyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-pyridin-4-ylpropyl]pyrrolidine-1-carboxamide (CID 124624159) is (2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-pyridin-4-ylpropyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-pyridin-4-ylpropyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-pyridin-4-ylpropyl]pyrrolidine-1-carboxamide is CC[C@@H](NC(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1)c1ccncc1.
What is the InChIKey of (2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-pyridin-4-ylpropyl]pyrrolidine-1-carboxamide?
The InChIKey is DRUYTLCENNQCSV-RRFJBIMHSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-4-14(12-5-7-18-8-6-12)20-17(23)22-10-13(24-3)9-15(22)16-19-11(2)21-25-16/h5-8,13-15H,4,9-10H2,1-3H3,(H,20,23)/t13-,14+,15+/m0/s1.
What are the key properties of (2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-pyridin-4-ylpropyl]pyrrolidine-1-carboxamide?
(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-pyridin-4-ylpropyl]pyrrolidine-1-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-pyridin-4-ylpropyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 124624159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).