methyl 3-(2-hydroxybutanoyloxy)-1,2-oxazole-5-carboxylate

C9H11NO6 — CID 90880259

IUPACmethyl 3-(2-hydroxybutanoyloxy)-1,2-oxazole-5-carboxylate
SMILESCCC(O)C(=O)Oc1cc(C(=O)OC)on1
InChIInChI=1S/C9H11NO6/c1-3-5(11)8(12)15-7-4-6(16-10-7)9(13)14-2/h4-5,11H,3H2,1-2H3
InChIKeyYCYQCPPKCUVGMH-UHFFFAOYSA-N
MW229.19 g/mol
LogP0.14
Rot. Bonds4

About methyl 3-(2-hydroxybutanoyloxy)-1,2-oxazole-5-carboxylate

methyl 3-(2-hydroxybutanoyloxy)-1,2-oxazole-5-carboxylate (PubChem CID 90880259) has the molecular formula C9H11NO6 and a molecular weight of 229.19 g/mol. Its IUPAC name is methyl 3-(2-hydroxybutanoyloxy)-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-hydroxybutanoyloxy)-1,2-oxazole-5-carboxylate
PubChem CID90880259
Molecular FormulaC9H11NO6
Molecular Weight229.19 g/mol
Exact Mass229.06
IUPAC Namemethyl 3-(2-hydroxybutanoyloxy)-1,2-oxazole-5-carboxylate
SMILESCCC(O)C(=O)Oc1cc(C(=O)OC)on1
InChIInChI=1S/C9H11NO6/c1-3-5(11)8(12)15-7-4-6(16-10-7)9(13)14-2/h4-5,11H,3H2,1-2H3
InChIKeyYCYQCPPKCUVGMH-UHFFFAOYSA-N
XLogP0.14
TPSA98.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-(3,3-difluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate
CID 67777697
methyl 3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazole-5-carboxylate
CID 22262066
3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 90573752
methyl 3-[[(2S,3R)-2-hydroxy-3-methylpentyl]carbamoyl]-1,2-oxazole-5-carboxylate
CID 124844062
methyl 2-(3-methoxy-1,2-oxazol-5-yl)-2-oxoacetate
CID 15923592
2-methylpropoxycarbonyl 3-methoxy-1,2-oxazole-5-carboxylate
CID 10586291
methyl 3-[(1S)-1-amino-2-methylpropyl]-1,2-oxazole-5-carboxylate
CID 142637039
(2R)-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 137394958
methyl 3-[(4-cyanophenyl)methoxy]-1,2-oxazole-5-carboxylate
CID 21471720
N-butyl-3-methoxy-1,2-oxazole-5-carboxamide
CID 90573751
2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid
CID 120513531
3-methoxy-N-[(2R)-octan-2-yl]-1,2-oxazole-5-carboxamide
CID 97353224

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-hydroxybutanoyloxy)-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 3-(2-hydroxybutanoyloxy)-1,2-oxazole-5-carboxylate (CID 90880259) is methyl 3-(2-hydroxybutanoyloxy)-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 3-(2-hydroxybutanoyloxy)-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 3-(2-hydroxybutanoyloxy)-1,2-oxazole-5-carboxylate is CCC(O)C(=O)Oc1cc(C(=O)OC)on1.
What is the InChIKey of methyl 3-(2-hydroxybutanoyloxy)-1,2-oxazole-5-carboxylate?
The InChIKey is YCYQCPPKCUVGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO6/c1-3-5(11)8(12)15-7-4-6(16-10-7)9(13)14-2/h4-5,11H,3H2,1-2H3.
What are the key properties of methyl 3-(2-hydroxybutanoyloxy)-1,2-oxazole-5-carboxylate?
methyl 3-(2-hydroxybutanoyloxy)-1,2-oxazole-5-carboxylate has a molecular weight of 229.19 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-hydroxybutanoyloxy)-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 90880259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).