methyl 4-amino-1,3-oxazole-2-carboxylate

C5H6N2O3 — CID 146160567

IUPACmethyl 4-amino-1,3-oxazole-2-carboxylate
SMILESCOC(=O)c1nc(N)co1
InChIInChI=1S/C5H6N2O3/c1-9-5(8)4-7-3(6)2-10-4/h2H,6H2,1H3
InChIKeyTWVYXTZMDROALE-UHFFFAOYSA-N
MW142.11 g/mol
LogP0.04
Rot. Bonds1

About methyl 4-amino-1,3-oxazole-2-carboxylate

methyl 4-amino-1,3-oxazole-2-carboxylate (PubChem CID 146160567) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is methyl 4-amino-1,3-oxazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1,3-oxazole-2-carboxylate
PubChem CID146160567
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Namemethyl 4-amino-1,3-oxazole-2-carboxylate
SMILESCOC(=O)c1nc(N)co1
InChIInChI=1S/C5H6N2O3/c1-9-5(8)4-7-3(6)2-10-4/h2H,6H2,1H3
InChIKeyTWVYXTZMDROALE-UHFFFAOYSA-N
XLogP0.04
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(1-aminoethyl)-1,3-oxazole-2-carboxylate
CID 115013695
dimethyl 1,3,4-oxadiazole-2,5-dicarboxylate
CID 14088399
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 5-carbamoyl-4-methyl-1,3-oxazole-2-carboxylate
CID 68802843
methyl 2-(methylsulfonylmethyl)-1,3-oxazole-4-carboxylate
CID 122673312
methyl 2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carboxylate
CID 85299406
methyl 5-(5-methylfuran-3-yl)-1,3,4-oxadiazole-2-carboxylate
CID 114822236
methyl 4-chloro-1,3-oxazole-5-carboxylate
CID 131699557
ethyl 4-[bis(methylsulfanyl)methylideneamino]-1,3-oxazole-2-carboxylate
CID 138692175
methyl 2-(sulfanylmethyl)-1,3-oxazole-4-carboxylate
CID 165481835
methyl 6-amino-2,3-dichloropyridine-4-carboxylate
CID 130951422
ethyl 2-[(E)-but-2-en-2-yl]-1,3-oxazole-4-carboxylate
CID 25215536

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1,3-oxazole-2-carboxylate?
The IUPAC name of methyl 4-amino-1,3-oxazole-2-carboxylate (CID 146160567) is methyl 4-amino-1,3-oxazole-2-carboxylate.
What is the SMILES notation for methyl 4-amino-1,3-oxazole-2-carboxylate?
The canonical SMILES for methyl 4-amino-1,3-oxazole-2-carboxylate is COC(=O)c1nc(N)co1.
What is the InChIKey of methyl 4-amino-1,3-oxazole-2-carboxylate?
The InChIKey is TWVYXTZMDROALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c1-9-5(8)4-7-3(6)2-10-4/h2H,6H2,1H3.
What are the key properties of methyl 4-amino-1,3-oxazole-2-carboxylate?
methyl 4-amino-1,3-oxazole-2-carboxylate has a molecular weight of 142.11 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1,3-oxazole-2-carboxylate is sourced from PubChem (CID 146160567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).