2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid

C12H16N2O5 — CID 129052206

IUPAC2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC(c2nc(C(=O)O)co2)C1
InChIInChI=1S/C12H16N2O5/c1-12(2,3)19-11(17)14-4-7(5-14)9-13-8(6-18-9)10(15)16/h6-7H,4-5H2,1-3H3,(H,15,16)
InChIKeyVWTHGWMDNMMGJX-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.71
Rot. Bonds2

About 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid (PubChem CID 129052206) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid
PubChem CID129052206
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC(c2nc(C(=O)O)co2)C1
InChIInChI=1S/C12H16N2O5/c1-12(2,3)19-11(17)14-4-7(5-14)9-13-8(6-18-9)10(15)16/h6-7H,4-5H2,1-3H3,(H,15,16)
InChIKeyVWTHGWMDNMMGJX-UHFFFAOYSA-N
XLogP1.71
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid (CID 129052206) is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid is CC(C)(C)OC(=O)N1CC(c2nc(C(=O)O)co2)C1.
What is the InChIKey of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is VWTHGWMDNMMGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-12(2,3)19-11(17)14-4-7(5-14)9-13-8(6-18-9)10(15)16/h6-7H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid?
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 129052206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).