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

C13H18N2O5 — CID 146154991

IUPAC5-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(C2CN(C(=O)OC(C)(C)C)C2)nc1C(=O)O
InChIInChI=1S/C13H18N2O5/c1-7-9(11(16)17)14-10(19-7)8-5-15(6-8)12(18)20-13(2,3)4/h8H,5-6H2,1-4H3,(H,16,17)
InChIKeyASQOEDNUQFHODB-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.02
Rot. Bonds2

About 5-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid

5-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid (PubChem CID 146154991) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid
PubChem CID146154991
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name5-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(C2CN(C(=O)OC(C)(C)C)C2)nc1C(=O)O
InChIInChI=1S/C13H18N2O5/c1-7-9(11(16)17)14-10(19-7)8-5-15(6-8)12(18)20-13(2,3)4/h8H,5-6H2,1-4H3,(H,16,17)
InChIKeyASQOEDNUQFHODB-UHFFFAOYSA-N
XLogP2.02
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid with MolForge

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Related Compounds

5-methyl-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid
CID 10851449
4-methyl-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxylic acid
CID 125452079
tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate
CID 169167060
tert-butyl 3-(5-bromo-1,3-benzoxazol-2-yl)azetidine-1-carboxylate
CID 170951246
tert-butyl 3-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 71250559
tert-butyl (1S,5R)-6-oxo-3-azabicyclo[3.1.1]heptane-3-carboxylate
CID 86334179
tert-butyl (5R)-2,4-dioxo-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CID 87310184
tert-butyl 3-(4-nitrosophenyl)azetidine-1-carboxylate
CID 177364546
tert-butyl 3-(2,6-dimethyl-4-pyridinyl)pyrrolidine-1-carboxylate
CID 135135114
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl 3-(6-methylpyridazin-3-yl)azetidine-1-carboxylate
CID 168895574

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid (CID 146154991) is 5-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid is Cc1oc(C2CN(C(=O)OC(C)(C)C)C2)nc1C(=O)O.
What is the InChIKey of 5-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is ASQOEDNUQFHODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-7-9(11(16)17)14-10(19-7)8-5-15(6-8)12(18)20-13(2,3)4/h8H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 5-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid?
5-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 146154991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).