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

C6H7NO4 — CID 1491126

IUPACmethyl 5-methoxy-1,3-oxazole-2-carboxylate
SMILESCOC(=O)c1ncc(OC)o1
InChIInChI=1S/C6H7NO4/c1-9-4-3-7-5(11-4)6(8)10-2/h3H,1-2H3
InChIKeyVGWHLCLCKMXXIQ-UHFFFAOYSA-N
MW157.12 g/mol
LogP0.47
Rot. Bonds2

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

methyl 5-methoxy-1,3-oxazole-2-carboxylate (PubChem CID 1491126) has the molecular formula C6H7NO4 and a molecular weight of 157.12 g/mol. Its IUPAC name is methyl 5-methoxy-1,3-oxazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-1,3-oxazole-2-carboxylate
PubChem CID1491126
Molecular FormulaC6H7NO4
Molecular Weight157.12 g/mol
Exact Mass157.04
IUPAC Namemethyl 5-methoxy-1,3-oxazole-2-carboxylate
SMILESCOC(=O)c1ncc(OC)o1
InChIInChI=1S/C6H7NO4/c1-9-4-3-7-5(11-4)6(8)10-2/h3H,1-2H3
InChIKeyVGWHLCLCKMXXIQ-UHFFFAOYSA-N
XLogP0.47
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-ethoxy-1,3-oxazole-2-carboxylate
CID 332224
Oxazole, 5-methoxy-
CID 487900
5-Ethoxyoxazole
CID 332226
Ethyl oxazole-2-carboxylate
CID 18465927
Sodium 1,3-oxazole-2-carboxylate
CID 56965480
Lithium(1+) 1,3-oxazole-2-carboxylate
CID 134818514
5-Ethoxy-2-methyl-1,3-oxazole
CID 3413886
(5-Ethoxy-1,3-oxazol-2-yl)methanol
CID 332225
1-(5-Methoxy-1,3-oxazol-2-yl)methanamine
CID 84647994
(5-Methoxy-1,3-oxazol-2-yl)methanol
CID 165950121
Oxazole, 5-methoxy-2-methyl-
CID 11434927
5-Ethoxyoxazole-2-carboxylic acid
CID 12435504

Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-1,3-oxazole-2-carboxylate?
The IUPAC name of methyl 5-methoxy-1,3-oxazole-2-carboxylate (CID 1491126) is methyl 5-methoxy-1,3-oxazole-2-carboxylate.
What is the SMILES notation for methyl 5-methoxy-1,3-oxazole-2-carboxylate?
The canonical SMILES for methyl 5-methoxy-1,3-oxazole-2-carboxylate is COC(=O)c1ncc(OC)o1.
What is the InChIKey of methyl 5-methoxy-1,3-oxazole-2-carboxylate?
The InChIKey is VGWHLCLCKMXXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4/c1-9-4-3-7-5(11-4)6(8)10-2/h3H,1-2H3.
What are the key properties of methyl 5-methoxy-1,3-oxazole-2-carboxylate?
methyl 5-methoxy-1,3-oxazole-2-carboxylate has a molecular weight of 157.12 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-1,3-oxazole-2-carboxylate is sourced from PubChem (CID 1491126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).