[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone

C15H21N5O2 — CID 129491807

IUPAC[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone
SMILESCc1noc([C@H]2CCN(C(=O)c3cn(C)nc3C(C)C)C2)n1
InChIInChI=1S/C15H21N5O2/c1-9(2)13-12(8-19(4)17-13)15(21)20-6-5-11(7-20)14-16-10(3)18-22-14/h8-9,11H,5-7H2,1-4H3/t11-/m0/s1
InChIKeyAJYSAWIYMPQIAC-NSHDSACASA-N
MW303.37 g/mol
LogP1.86
Rot. Bonds3

About [(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone

[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone (PubChem CID 129491807) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is [(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone
PubChem CID129491807
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone
SMILESCc1noc([C@H]2CCN(C(=O)c3cn(C)nc3C(C)C)C2)n1
InChIInChI=1S/C15H21N5O2/c1-9(2)13-12(8-19(4)17-13)15(21)20-6-5-11(7-20)14-16-10(3)18-22-14/h8-9,11H,5-7H2,1-4H3/t11-/m0/s1
InChIKeyAJYSAWIYMPQIAC-NSHDSACASA-N
XLogP1.86
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone?
The IUPAC name of [(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone (CID 129491807) is [(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone is Cc1noc([C@H]2CCN(C(=O)c3cn(C)nc3C(C)C)C2)n1.
What is the InChIKey of [(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone?
The InChIKey is AJYSAWIYMPQIAC-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N5O2/c1-9(2)13-12(8-19(4)17-13)15(21)20-6-5-11(7-20)14-16-10(3)18-22-14/h8-9,11H,5-7H2,1-4H3/t11-/m0/s1.
What are the key properties of [(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone?
[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone has a molecular weight of 303.37 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 129491807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).