2-methylpropoxycarbonyl 3-methoxy-1,2-oxazole-5-carboxylate

C10H13NO6 — CID 10586291

IUPAC2-methylpropoxycarbonyl 3-methoxy-1,2-oxazole-5-carboxylate
SMILESCOc1cc(C(=O)OC(=O)OCC(C)C)on1
InChIInChI=1S/C10H13NO6/c1-6(2)5-15-10(13)16-9(12)7-4-8(14-3)11-17-7/h4,6H,5H2,1-3H3
InChIKeyDBBAZCXSLYOUNI-UHFFFAOYSA-N
MW243.21 g/mol
LogP1.63
Rot. Bonds4

About 2-methylpropoxycarbonyl 3-methoxy-1,2-oxazole-5-carboxylate

2-methylpropoxycarbonyl 3-methoxy-1,2-oxazole-5-carboxylate (PubChem CID 10586291) has the molecular formula C10H13NO6 and a molecular weight of 243.21 g/mol. Its IUPAC name is 2-methylpropoxycarbonyl 3-methoxy-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name2-methylpropoxycarbonyl 3-methoxy-1,2-oxazole-5-carboxylate
PubChem CID10586291
Molecular FormulaC10H13NO6
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Name2-methylpropoxycarbonyl 3-methoxy-1,2-oxazole-5-carboxylate
SMILESCOc1cc(C(=O)OC(=O)OCC(C)C)on1
InChIInChI=1S/C10H13NO6/c1-6(2)5-15-10(13)16-9(12)7-4-8(14-3)11-17-7/h4,6H,5H2,1-3H3
InChIKeyDBBAZCXSLYOUNI-UHFFFAOYSA-N
XLogP1.63
TPSA87.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 90573752
3-methoxy-N,N-di(propan-2-yl)-1,2-oxazole-5-carboxamide
CID 90573695
2-methylpropoxycarbonyl 5-fluoro-6-methoxypyridine-3-carboxylate
CID 87194470
methyl 3-(2-hydroxybutanoyloxy)-1,2-oxazole-5-carboxylate
CID 90880259
methyl 2-(3-methoxy-1,2-oxazol-5-yl)-2-oxoacetate
CID 15923592
3-[(3-methoxy-1,2-oxazole-5-carbonyl)-propan-2-ylamino]propanoic acid
CID 120520012
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
2-methylpropoxycarbonyl quinoxaline-6-carboxylate
CID 59208154
methyl 3-(3,3-difluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate
CID 67777697
3-methoxy-N-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 97351811
N-butyl-3-methoxy-1,2-oxazole-5-carboxamide
CID 90573751

Frequently Asked Questions

What is the IUPAC name of 2-methylpropoxycarbonyl 3-methoxy-1,2-oxazole-5-carboxylate?
The IUPAC name of 2-methylpropoxycarbonyl 3-methoxy-1,2-oxazole-5-carboxylate (CID 10586291) is 2-methylpropoxycarbonyl 3-methoxy-1,2-oxazole-5-carboxylate.
What is the SMILES notation for 2-methylpropoxycarbonyl 3-methoxy-1,2-oxazole-5-carboxylate?
The canonical SMILES for 2-methylpropoxycarbonyl 3-methoxy-1,2-oxazole-5-carboxylate is COc1cc(C(=O)OC(=O)OCC(C)C)on1.
What is the InChIKey of 2-methylpropoxycarbonyl 3-methoxy-1,2-oxazole-5-carboxylate?
The InChIKey is DBBAZCXSLYOUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO6/c1-6(2)5-15-10(13)16-9(12)7-4-8(14-3)11-17-7/h4,6H,5H2,1-3H3.
What are the key properties of 2-methylpropoxycarbonyl 3-methoxy-1,2-oxazole-5-carboxylate?
2-methylpropoxycarbonyl 3-methoxy-1,2-oxazole-5-carboxylate has a molecular weight of 243.21 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropoxycarbonyl 3-methoxy-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 10586291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).