(2R,4S)-4-hydroxy-N-(2-methoxy-5-methyl-3-pyridinyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide

C15H19N5O4 — CID 128998784

IUPAC(2R,4S)-4-hydroxy-N-(2-methoxy-5-methyl-3-pyridinyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCOc1ncc(C)cc1NC(=O)N1C[C@@H](O)C[C@@H]1c1nc(C)no1
InChIInChI=1S/C15H19N5O4/c1-8-4-11(13(23-3)16-6-8)18-15(22)20-7-10(21)5-12(20)14-17-9(2)19-24-14/h4,6,10,12,21H,5,7H2,1-3H3,(H,18,22)/t10-,12+/m0/s1
InChIKeyKXAXYXANNSRUQS-CMPLNLGQSA-N
MW333.35 g/mol
LogP1.43
Rot. Bonds3

About (2R,4S)-4-hydroxy-N-(2-methoxy-5-methyl-3-pyridinyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide

(2R,4S)-4-hydroxy-N-(2-methoxy-5-methyl-3-pyridinyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 128998784) has the molecular formula C15H19N5O4 and a molecular weight of 333.35 g/mol. Its IUPAC name is (2R,4S)-4-hydroxy-N-(2-methoxy-5-methyl-3-pyridinyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R,4S)-4-hydroxy-N-(2-methoxy-5-methyl-3-pyridinyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID128998784
Molecular FormulaC15H19N5O4
Molecular Weight333.35 g/mol
Exact Mass333.14
IUPAC Name(2R,4S)-4-hydroxy-N-(2-methoxy-5-methyl-3-pyridinyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCOc1ncc(C)cc1NC(=O)N1C[C@@H](O)C[C@@H]1c1nc(C)no1
InChIInChI=1S/C15H19N5O4/c1-8-4-11(13(23-3)16-6-8)18-15(22)20-7-10(21)5-12(20)14-17-9(2)19-24-14/h4,6,10,12,21H,5,7H2,1-3H3,(H,18,22)/t10-,12+/m0/s1
InChIKeyKXAXYXANNSRUQS-CMPLNLGQSA-N
XLogP1.43
TPSA113.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,4R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 129005977
(3-chloro-5-fluorophenyl)-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 128967890
(2-tert-butyl-1,3-thiazol-5-yl)-[(2R,4S)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 128997575
2-(2-chloro-6-methoxyphenyl)-1-[(2R,4S)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 128997360
(E)-1-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-(4-methylphenyl)but-3-en-1-one
CID 128966039
(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxy-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide
CID 124880269
N-(2-methoxy-5-methyl-3-pyridinyl)cyclopentanecarboxamide
CID 71983272
N-(2-methoxy-5-methyl-3-pyridinyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 139006633
(2S)-2-cyclopropyl-1-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 129473001
[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]methanone
CID 129325718
1-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 129344895
1-[(2R,4S)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-indol-1-ylethanone
CID 129004432

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-hydroxy-N-(2-methoxy-5-methyl-3-pyridinyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R,4S)-4-hydroxy-N-(2-methoxy-5-methyl-3-pyridinyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (CID 128998784) is (2R,4S)-4-hydroxy-N-(2-methoxy-5-methyl-3-pyridinyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R,4S)-4-hydroxy-N-(2-methoxy-5-methyl-3-pyridinyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R,4S)-4-hydroxy-N-(2-methoxy-5-methyl-3-pyridinyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide is COc1ncc(C)cc1NC(=O)N1C[C@@H](O)C[C@@H]1c1nc(C)no1.
What is the InChIKey of (2R,4S)-4-hydroxy-N-(2-methoxy-5-methyl-3-pyridinyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is KXAXYXANNSRUQS-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H19N5O4/c1-8-4-11(13(23-3)16-6-8)18-15(22)20-7-10(21)5-12(20)14-17-9(2)19-24-14/h4,6,10,12,21H,5,7H2,1-3H3,(H,18,22)/t10-,12+/m0/s1.
What are the key properties of (2R,4S)-4-hydroxy-N-(2-methoxy-5-methyl-3-pyridinyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
(2R,4S)-4-hydroxy-N-(2-methoxy-5-methyl-3-pyridinyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-hydroxy-N-(2-methoxy-5-methyl-3-pyridinyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 128998784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).