5-[(2R,4R)-4-methoxy-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole

C15H21N5O3 — CID 128973713

IUPAC5-[(2R,4R)-4-methoxy-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCOCc1nc(C)cc(N2C[C@H](OC)C[C@@H]2c2nc(C)no2)n1
InChIInChI=1S/C15H21N5O3/c1-9-5-14(18-13(16-9)8-21-3)20-7-11(22-4)6-12(20)15-17-10(2)19-23-15/h5,11-12H,6-8H2,1-4H3/t11-,12-/m1/s1
InChIKeyQESWWRSQECBHJP-VXGBXAGGSA-N
MW319.37 g/mol
LogP1.59
Rot. Bonds5

About 5-[(2R,4R)-4-methoxy-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole

5-[(2R,4R)-4-methoxy-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 128973713) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 5-[(2R,4R)-4-methoxy-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2R,4R)-4-methoxy-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID128973713
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name5-[(2R,4R)-4-methoxy-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCOCc1nc(C)cc(N2C[C@H](OC)C[C@@H]2c2nc(C)no2)n1
InChIInChI=1S/C15H21N5O3/c1-9-5-14(18-13(16-9)8-21-3)20-7-11(22-4)6-12(20)15-17-10(2)19-23-15/h5,11-12H,6-8H2,1-4H3/t11-,12-/m1/s1
InChIKeyQESWWRSQECBHJP-VXGBXAGGSA-N
XLogP1.59
TPSA86.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(2R,4R)-4-methoxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128966068
2-ethyl-4-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-6-methylpyrimidine
CID 128975809
5-[(2R,4S)-4-methoxy-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129001016
[4-[[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 128966490
5-cyclopropyl-3-[[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 128965007
(3aS,7aS)-2-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-1,3,3a,4,7,7a-hexahydroisoindole
CID 95971172
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
5-[(2R,4R)-4-methoxy-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128966405
5-[(2R,4R)-4-methoxy-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128968587
1-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 128973006
5-[(2R,4R)-4-methoxy-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128993270
2-benzyl-5-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane
CID 126825756

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4R)-4-methoxy-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2R,4R)-4-methoxy-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole (CID 128973713) is 5-[(2R,4R)-4-methoxy-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2R,4R)-4-methoxy-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2R,4R)-4-methoxy-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole is COCc1nc(C)cc(N2C[C@H](OC)C[C@@H]2c2nc(C)no2)n1.
What is the InChIKey of 5-[(2R,4R)-4-methoxy-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is QESWWRSQECBHJP-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-9-5-14(18-13(16-9)8-21-3)20-7-11(22-4)6-12(20)15-17-10(2)19-23-15/h5,11-12H,6-8H2,1-4H3/t11-,12-/m1/s1.
What are the key properties of 5-[(2R,4R)-4-methoxy-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
5-[(2R,4R)-4-methoxy-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 319.37 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4R)-4-methoxy-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 128973713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).