2-[1-(7-oxobicyclo[3.3.1]nonane-3-carbonyl)azetidin-3-yl]-1,3-oxazole-4-carboxylic acid

C17H20N2O5 — CID 167759737

IUPAC2-[1-(7-oxobicyclo[3.3.1]nonane-3-carbonyl)azetidin-3-yl]-1,3-oxazole-4-carboxylic acid
SMILESO=C1CC2CC(C1)CC(C(=O)N1CC(c3nc(C(=O)O)co3)C1)C2
InChIInChI=1S/C17H20N2O5/c20-13-4-9-1-10(5-13)3-11(2-9)16(21)19-6-12(7-19)15-18-14(8-24-15)17(22)23/h8-12H,1-7H2,(H,22,23)
InChIKeyKXSLOZIXAHXPCO-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.69
Rot. Bonds3

About 2-[1-(7-oxobicyclo[3.3.1]nonane-3-carbonyl)azetidin-3-yl]-1,3-oxazole-4-carboxylic acid

2-[1-(7-oxobicyclo[3.3.1]nonane-3-carbonyl)azetidin-3-yl]-1,3-oxazole-4-carboxylic acid (PubChem CID 167759737) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[1-(7-oxobicyclo[3.3.1]nonane-3-carbonyl)azetidin-3-yl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(7-oxobicyclo[3.3.1]nonane-3-carbonyl)azetidin-3-yl]-1,3-oxazole-4-carboxylic acid
PubChem CID167759737
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name2-[1-(7-oxobicyclo[3.3.1]nonane-3-carbonyl)azetidin-3-yl]-1,3-oxazole-4-carboxylic acid
SMILESO=C1CC2CC(C1)CC(C(=O)N1CC(c3nc(C(=O)O)co3)C1)C2
InChIInChI=1S/C17H20N2O5/c20-13-4-9-1-10(5-13)3-11(2-9)16(21)19-6-12(7-19)15-18-14(8-24-15)17(22)23/h8-12H,1-7H2,(H,22,23)
InChIKeyKXSLOZIXAHXPCO-UHFFFAOYSA-N
XLogP1.69
TPSA100.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(7-oxobicyclo[3.3.1]nonane-3-carbonyl)azetidin-3-yl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[1-(7-oxobicyclo[3.3.1]nonane-3-carbonyl)azetidin-3-yl]-1,3-oxazole-4-carboxylic acid (CID 167759737) is 2-[1-(7-oxobicyclo[3.3.1]nonane-3-carbonyl)azetidin-3-yl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-(7-oxobicyclo[3.3.1]nonane-3-carbonyl)azetidin-3-yl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[1-(7-oxobicyclo[3.3.1]nonane-3-carbonyl)azetidin-3-yl]-1,3-oxazole-4-carboxylic acid is O=C1CC2CC(C1)CC(C(=O)N1CC(c3nc(C(=O)O)co3)C1)C2.
What is the InChIKey of 2-[1-(7-oxobicyclo[3.3.1]nonane-3-carbonyl)azetidin-3-yl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is KXSLOZIXAHXPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c20-13-4-9-1-10(5-13)3-11(2-9)16(21)19-6-12(7-19)15-18-14(8-24-15)17(22)23/h8-12H,1-7H2,(H,22,23).
What are the key properties of 2-[1-(7-oxobicyclo[3.3.1]nonane-3-carbonyl)azetidin-3-yl]-1,3-oxazole-4-carboxylic acid?
2-[1-(7-oxobicyclo[3.3.1]nonane-3-carbonyl)azetidin-3-yl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7-oxobicyclo[3.3.1]nonane-3-carbonyl)azetidin-3-yl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 167759737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).