1-tert-butyl-5-oxo-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3-carboxamide

C16H20N6O3 — CID 70740292

IUPAC1-tert-butyl-5-oxo-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(=O)NCc2nc(-c3ncccn3)no2)CC1=O
InChIInChI=1S/C16H20N6O3/c1-16(2,3)22-9-10(7-12(22)23)15(24)19-8-11-20-14(21-25-11)13-17-5-4-6-18-13/h4-6,10H,7-9H2,1-3H3,(H,19,24)
InChIKeyUHYGHOYGCIZAPY-UHFFFAOYSA-N
MW344.38 g/mol
LogP0.79
Rot. Bonds4

About 1-tert-butyl-5-oxo-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3-carboxamide

1-tert-butyl-5-oxo-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 70740292) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is 1-tert-butyl-5-oxo-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-oxo-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID70740292
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC Name1-tert-butyl-5-oxo-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(=O)NCc2nc(-c3ncccn3)no2)CC1=O
InChIInChI=1S/C16H20N6O3/c1-16(2,3)22-9-10(7-12(22)23)15(24)19-8-11-20-14(21-25-11)13-17-5-4-6-18-13/h4-6,10H,7-9H2,1-3H3,(H,19,24)
InChIKeyUHYGHOYGCIZAPY-UHFFFAOYSA-N
XLogP0.79
TPSA114.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-oxo-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-oxo-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3-carboxamide (CID 70740292) is 1-tert-butyl-5-oxo-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-oxo-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-oxo-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3-carboxamide is CC(C)(C)N1CC(C(=O)NCc2nc(-c3ncccn3)no2)CC1=O.
What is the InChIKey of 1-tert-butyl-5-oxo-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is UHYGHOYGCIZAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3/c1-16(2,3)22-9-10(7-12(22)23)15(24)19-8-11-20-14(21-25-11)13-17-5-4-6-18-13/h4-6,10H,7-9H2,1-3H3,(H,19,24).
What are the key properties of 1-tert-butyl-5-oxo-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3-carboxamide?
1-tert-butyl-5-oxo-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-oxo-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 70740292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).