2,3-dihydro-1,4-dioxin-5-yl-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone

C16H24N4O4 — CID 124888820

IUPAC2,3-dihydro-1,4-dioxin-5-yl-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone
SMILESCC(C)c1nc(CN(C)[C@@H]2CCN(C(=O)C3=COCCO3)C2)no1
InChIInChI=1S/C16H24N4O4/c1-11(2)15-17-14(18-24-15)9-19(3)12-4-5-20(8-12)16(21)13-10-22-6-7-23-13/h10-12H,4-9H2,1-3H3/t12-/m1/s1
InChIKeyNEXYYIXBQOXJBX-GFCCVEGCSA-N
MW336.39 g/mol
LogP1.11
Rot. Bonds5

About 2,3-dihydro-1,4-dioxin-5-yl-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone

2,3-dihydro-1,4-dioxin-5-yl-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone (PubChem CID 124888820) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2,3-dihydro-1,4-dioxin-5-yl-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-dioxin-5-yl-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone
PubChem CID124888820
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name2,3-dihydro-1,4-dioxin-5-yl-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone
SMILESCC(C)c1nc(CN(C)[C@@H]2CCN(C(=O)C3=COCCO3)C2)no1
InChIInChI=1S/C16H24N4O4/c1-11(2)15-17-14(18-24-15)9-19(3)12-4-5-20(8-12)16(21)13-10-22-6-7-23-13/h10-12H,4-9H2,1-3H3/t12-/m1/s1
InChIKeyNEXYYIXBQOXJBX-GFCCVEGCSA-N
XLogP1.11
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-dioxin-5-yl-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1,4-dioxin-5-yl-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone (CID 124888820) is 2,3-dihydro-1,4-dioxin-5-yl-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1,4-dioxin-5-yl-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1,4-dioxin-5-yl-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone is CC(C)c1nc(CN(C)[C@@H]2CCN(C(=O)C3=COCCO3)C2)no1.
What is the InChIKey of 2,3-dihydro-1,4-dioxin-5-yl-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone?
The InChIKey is NEXYYIXBQOXJBX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-11(2)15-17-14(18-24-15)9-19(3)12-4-5-20(8-12)16(21)13-10-22-6-7-23-13/h10-12H,4-9H2,1-3H3/t12-/m1/s1.
What are the key properties of 2,3-dihydro-1,4-dioxin-5-yl-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone?
2,3-dihydro-1,4-dioxin-5-yl-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone has a molecular weight of 336.39 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-dioxin-5-yl-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124888820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).