2-(2-methyl-2-prop-2-enoyloxypropyl)-1,3-oxazole-5-carboxylic acid

C11H13NO5 — CID 174850049

IUPAC2-(2-methyl-2-prop-2-enoyloxypropyl)-1,3-oxazole-5-carboxylic acid
SMILESC=CC(=O)OC(C)(C)Cc1ncc(C(=O)O)o1
InChIInChI=1S/C11H13NO5/c1-4-9(13)17-11(2,3)5-8-12-6-7(16-8)10(14)15/h4,6H,1,5H2,2-3H3,(H,14,15)
InChIKeyHCRBZTRPGRMQNM-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.42
Rot. Bonds5

About 2-(2-methyl-2-prop-2-enoyloxypropyl)-1,3-oxazole-5-carboxylic acid

2-(2-methyl-2-prop-2-enoyloxypropyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 174850049) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(2-methyl-2-prop-2-enoyloxypropyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methyl-2-prop-2-enoyloxypropyl)-1,3-oxazole-5-carboxylic acid
PubChem CID174850049
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name2-(2-methyl-2-prop-2-enoyloxypropyl)-1,3-oxazole-5-carboxylic acid
SMILESC=CC(=O)OC(C)(C)Cc1ncc(C(=O)O)o1
InChIInChI=1S/C11H13NO5/c1-4-9(13)17-11(2,3)5-8-12-6-7(16-8)10(14)15/h4,6H,1,5H2,2-3H3,(H,14,15)
InChIKeyHCRBZTRPGRMQNM-UHFFFAOYSA-N
XLogP1.42
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-5-carboxylic acid
CID 170910216
tert-butyl prop-2-enoate;1,3-oxazole-5-carboxylic acid
CID 174850051
2-(bromomethyl)-1,3-oxazole-5-carboxylic acid
CID 118453580
(2,6-dimethyl-6-prop-2-enoyloxyheptan-2-yl) prop-2-enoate
CID 131723135
(2,7-dimethyl-7-prop-2-enoyloxyoctan-2-yl) prop-2-enoate
CID 131723132
(2-methyl-1-methylsulfanylpropan-2-yl) prop-2-enoate
CID 20643698
[2-methyl-1-[methyl-bis(trimethylsilyloxy)silyl]propan-2-yl] prop-2-enoate
CID 18949546
[1-[dimethyl(trimethylsilyloxy)silyl]-2-methylpropan-2-yl] prop-2-enoate
CID 18949578
1-(2-methyl-2-prop-2-enoyloxypropyl)isoindole-2-carboxylic acid
CID 174976086
[1,5-bis(4-methoxyphenyl)-2,4-dimethyl-3-oxo-4-prop-2-enoyloxypentan-2-yl] prop-2-enoate
CID 141253649
2-(2,2-dimethylpropyl)-N-methylsulfanyl-1,3-oxazole-5-carboxamide
CID 147546607
2-(azidomethyl)-1,3-oxazole-5-carboxylic acid
CID 118453597

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2-prop-2-enoyloxypropyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(2-methyl-2-prop-2-enoyloxypropyl)-1,3-oxazole-5-carboxylic acid (CID 174850049) is 2-(2-methyl-2-prop-2-enoyloxypropyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-methyl-2-prop-2-enoyloxypropyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(2-methyl-2-prop-2-enoyloxypropyl)-1,3-oxazole-5-carboxylic acid is C=CC(=O)OC(C)(C)Cc1ncc(C(=O)O)o1.
What is the InChIKey of 2-(2-methyl-2-prop-2-enoyloxypropyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is HCRBZTRPGRMQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-4-9(13)17-11(2,3)5-8-12-6-7(16-8)10(14)15/h4,6H,1,5H2,2-3H3,(H,14,15).
What are the key properties of 2-(2-methyl-2-prop-2-enoyloxypropyl)-1,3-oxazole-5-carboxylic acid?
2-(2-methyl-2-prop-2-enoyloxypropyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2-prop-2-enoyloxypropyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 174850049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).