3-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole

C18H20N4O2 — CID 124757232

IUPAC3-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(CN3CCC[C@@H]3c3cc(C)on3)no2)cc1
InChIInChI=1S/C18H20N4O2/c1-12-5-7-14(8-6-12)18-19-17(21-24-18)11-22-9-3-4-16(22)15-10-13(2)23-20-15/h5-8,10,16H,3-4,9,11H2,1-2H3/t16-/m1/s1
InChIKeyVYKQLONQOQXGAQ-MRXNPFEDSA-N
MW324.38 g/mol
LogP3.68
Rot. Bonds4

About 3-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole

3-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 124757232) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID124757232
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name3-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(CN3CCC[C@@H]3c3cc(C)on3)no2)cc1
InChIInChI=1S/C18H20N4O2/c1-12-5-7-14(8-6-12)18-19-17(21-24-18)11-22-9-3-4-16(22)15-10-13(2)23-20-15/h5-8,10,16H,3-4,9,11H2,1-2H3/t16-/m1/s1
InChIKeyVYKQLONQOQXGAQ-MRXNPFEDSA-N
XLogP3.68
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol
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3-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole
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3-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole
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[(2S)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanol
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(3R)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol
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1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carbaldehyde
CID 62655496
methyl 4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]benzoate
CID 50809341
5-methyl-3-[1-[(2-nitrophenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 42948127
3-methyl-7-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
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5-methyl-3-[1-(pyridin-3-ylmethyl)azepan-2-yl]-1,2-oxazole
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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole (CID 124757232) is 3-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(-c2nc(CN3CCC[C@@H]3c3cc(C)on3)no2)cc1.
What is the InChIKey of 3-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is VYKQLONQOQXGAQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-5-7-14(8-6-12)18-19-17(21-24-18)11-22-9-3-4-16(22)15-10-13(2)23-20-15/h5-8,10,16H,3-4,9,11H2,1-2H3/t16-/m1/s1.
What are the key properties of 3-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole?
3-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 324.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 124757232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).