5-[2-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-2-azabicyclo[2.1.1]hexan-5-yl]-1,3-oxazole-4-carboxamide

C18H20N4O4 — CID 146114921

IUPAC5-[2-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-2-azabicyclo[2.1.1]hexan-5-yl]-1,3-oxazole-4-carboxamide
SMILESCC(C)c1cc(C(=O)N2CC3CC2C3c2ocnc2C(N)=O)cc(=O)[nH]1
InChIInChI=1S/C18H20N4O4/c1-8(2)11-3-9(5-13(23)21-11)18(25)22-6-10-4-12(22)14(10)16-15(17(19)24)20-7-26-16/h3,5,7-8,10,12,14H,4,6H2,1-2H3,(H2,19,24)(H,21,23)
InChIKeyMHQGWIFBIDFWLI-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.21
Rot. Bonds4

About 5-[2-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-2-azabicyclo[2.1.1]hexan-5-yl]-1,3-oxazole-4-carboxamide

5-[2-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-2-azabicyclo[2.1.1]hexan-5-yl]-1,3-oxazole-4-carboxamide (PubChem CID 146114921) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 5-[2-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-2-azabicyclo[2.1.1]hexan-5-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-2-azabicyclo[2.1.1]hexan-5-yl]-1,3-oxazole-4-carboxamide
PubChem CID146114921
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name5-[2-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-2-azabicyclo[2.1.1]hexan-5-yl]-1,3-oxazole-4-carboxamide
SMILESCC(C)c1cc(C(=O)N2CC3CC2C3c2ocnc2C(N)=O)cc(=O)[nH]1
InChIInChI=1S/C18H20N4O4/c1-8(2)11-3-9(5-13(23)21-11)18(25)22-6-10-4-12(22)14(10)16-15(17(19)24)20-7-26-16/h3,5,7-8,10,12,14H,4,6H2,1-2H3,(H2,19,24)(H,21,23)
InChIKeyMHQGWIFBIDFWLI-UHFFFAOYSA-N
XLogP1.21
TPSA122.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-2-azabicyclo[2.1.1]hexan-5-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[2-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-2-azabicyclo[2.1.1]hexan-5-yl]-1,3-oxazole-4-carboxamide (CID 146114921) is 5-[2-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-2-azabicyclo[2.1.1]hexan-5-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[2-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-2-azabicyclo[2.1.1]hexan-5-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[2-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-2-azabicyclo[2.1.1]hexan-5-yl]-1,3-oxazole-4-carboxamide is CC(C)c1cc(C(=O)N2CC3CC2C3c2ocnc2C(N)=O)cc(=O)[nH]1.
What is the InChIKey of 5-[2-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-2-azabicyclo[2.1.1]hexan-5-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is MHQGWIFBIDFWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-8(2)11-3-9(5-13(23)21-11)18(25)22-6-10-4-12(22)14(10)16-15(17(19)24)20-7-26-16/h3,5,7-8,10,12,14H,4,6H2,1-2H3,(H2,19,24)(H,21,23).
What are the key properties of 5-[2-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-2-azabicyclo[2.1.1]hexan-5-yl]-1,3-oxazole-4-carboxamide?
5-[2-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-2-azabicyclo[2.1.1]hexan-5-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-2-azabicyclo[2.1.1]hexan-5-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 146114921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).