[(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

C18H19N5O2 — CID 124854834

IUPAC[(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1noc([C@H]2CN(C(=O)c3cc(C)[nH]n3)C[C@H]2c2ccccc2)n1
InChIInChI=1S/C18H19N5O2/c1-11-8-16(21-20-11)18(24)23-9-14(13-6-4-3-5-7-13)15(10-23)17-19-12(2)22-25-17/h3-8,14-15H,9-10H2,1-2H3,(H,20,21)/t14-,15-/m0/s1
InChIKeyXYHSVXMYYWXFNW-GJZGRUSLSA-N
MW337.38 g/mol
LogP2.43
Rot. Bonds3

About [(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

[(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 124854834) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is [(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
PubChem CID124854834
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name[(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1noc([C@H]2CN(C(=O)c3cc(C)[nH]n3)C[C@H]2c2ccccc2)n1
InChIInChI=1S/C18H19N5O2/c1-11-8-16(21-20-11)18(24)23-9-14(13-6-4-3-5-7-13)15(10-23)17-19-12(2)22-25-17/h3-8,14-15H,9-10H2,1-2H3,(H,20,21)/t14-,15-/m0/s1
InChIKeyXYHSVXMYYWXFNW-GJZGRUSLSA-N
XLogP2.43
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (CID 124854834) is [(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is Cc1noc([C@H]2CN(C(=O)c3cc(C)[nH]n3)C[C@H]2c2ccccc2)n1.
What is the InChIKey of [(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is XYHSVXMYYWXFNW-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-11-8-16(21-20-11)18(24)23-9-14(13-6-4-3-5-7-13)15(10-23)17-19-12(2)22-25-17/h3-8,14-15H,9-10H2,1-2H3,(H,20,21)/t14-,15-/m0/s1.
What are the key properties of [(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
[(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 337.38 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 124854834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).