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

C7H9NO4 — CID 13371025

IUPACmethyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate
SMILESCOCc1cc(C(=O)OC)no1
InChIInChI=1S/C7H9NO4/c1-10-4-5-3-6(8-12-5)7(9)11-2/h3H,4H2,1-2H3
InChIKeyPBGCIXARQZOKHR-UHFFFAOYSA-N
MW171.15 g/mol
LogP0.61
Rot. Bonds3

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

methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate (PubChem CID 13371025) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate
PubChem CID13371025
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Namemethyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate
SMILESCOCc1cc(C(=O)OC)no1
InChIInChI=1S/C7H9NO4/c1-10-4-5-3-6(8-12-5)7(9)11-2/h3H,4H2,1-2H3
InChIKeyPBGCIXARQZOKHR-UHFFFAOYSA-N
XLogP0.61
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methoxymethyl)-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 66157357
methyl 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoate
CID 66156389
N-[(2S)-1-aminopropan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 120505183
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 103890936
3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 66158499
N-(2-ethyl-2-hydroxybutyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66156577
N-(1-hydroxy-3-methoxypropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 114079017
N-(4-bromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66158532
4-methoxy-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 66157132
N-[(2S)-3-amino-2-methylpropyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 124685846
N-(3-bromo-2,2-dimethylpropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 115364910
N-(2,2-difluoro-3-hydroxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 113462673

Frequently Asked Questions

What is the IUPAC name of methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate (CID 13371025) is methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate is COCc1cc(C(=O)OC)no1.
What is the InChIKey of methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate?
The InChIKey is PBGCIXARQZOKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c1-10-4-5-3-6(8-12-5)7(9)11-2/h3H,4H2,1-2H3.
What are the key properties of methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate?
methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate has a molecular weight of 171.15 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 13371025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).