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

C16H24N6O2 — CID 124736499

IUPAC[(3S)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC[C@H](N(C)Cc3noc(C(C)C)n3)C2)n[nH]1
InChIInChI=1S/C16H24N6O2/c1-10(2)15-17-14(20-24-15)9-21(4)12-5-6-22(8-12)16(23)13-7-11(3)18-19-13/h7,10,12H,5-6,8-9H2,1-4H3,(H,18,19)/t12-/m0/s1
InChIKeyOZISRUMZHDGWSG-LBPRGKRZSA-N
MW332.41 g/mol
LogP1.57
Rot. Bonds5

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

[(3S)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 124736499) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is [(3S)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
PubChem CID124736499
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name[(3S)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC[C@H](N(C)Cc3noc(C(C)C)n3)C2)n[nH]1
InChIInChI=1S/C16H24N6O2/c1-10(2)15-17-14(20-24-15)9-21(4)12-5-6-22(8-12)16(23)13-7-11(3)18-19-13/h7,10,12H,5-6,8-9H2,1-4H3,(H,18,19)/t12-/m0/s1
InChIKeyOZISRUMZHDGWSG-LBPRGKRZSA-N
XLogP1.57
TPSA91.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [(3S)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (CID 124736499) is [(3S)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [(3S)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [(3S)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is Cc1cc(C(=O)N2CC[C@H](N(C)Cc3noc(C(C)C)n3)C2)n[nH]1.
What is the InChIKey of [(3S)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is OZISRUMZHDGWSG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-10(2)15-17-14(20-24-15)9-21(4)12-5-6-22(8-12)16(23)13-7-11(3)18-19-13/h7,10,12H,5-6,8-9H2,1-4H3,(H,18,19)/t12-/m0/s1.
What are the key properties of [(3S)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
[(3S)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 332.41 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 124736499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).