methyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate

C9H12N2O4 — CID 105465745

IUPACmethyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(N)noc1C1CCOC1
InChIInChI=1S/C9H12N2O4/c1-13-9(12)6-7(15-11-8(6)10)5-2-3-14-4-5/h5H,2-4H2,1H3,(H2,10,11)
InChIKeyPGVPGNORIMSYMA-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.55
Rot. Bonds2

About methyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate

methyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate (PubChem CID 105465745) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is methyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate
PubChem CID105465745
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Namemethyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(N)noc1C1CCOC1
InChIInChI=1S/C9H12N2O4/c1-13-9(12)6-7(15-11-8(6)10)5-2-3-14-4-5/h5H,2-4H2,1H3,(H2,10,11)
InChIKeyPGVPGNORIMSYMA-UHFFFAOYSA-N
XLogP0.55
TPSA87.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 105441014
methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate
CID 116647653
3-amino-5-cyclobutyl-1,2-oxazole-4-carboxylic acid
CID 105439905
methyl 2-(oxolan-3-yl)-1,3-thiazole-4-carboxylate
CID 115422170
methyl 5-amino-2-(methoxymethyl)-4-[2-(oxolan-3-yl)imidazol-1-yl]benzoate
CID 66696224
methyl 5-amino-4-cyclopentyl-1,2-oxazole-3-carboxylate
CID 105463948
3-chloro-4-(oxolan-3-yl)-1,2-oxazol-5-amine
CID 105443368
ethyl 5-amino-2-(oxolan-3-yl)-1,3-oxazole-4-carboxylate
CID 66010377
methyl 3-(oxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
CID 117142448
4-(4-ethoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine
CID 66199845
methyl 3-amino-5-[methyl(oxan-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate
CID 103381952
methyl 2-bromo-5-(oxan-4-yl)-1,3-thiazole-4-carboxylate
CID 106510295

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate (CID 105465745) is methyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate is COC(=O)c1c(N)noc1C1CCOC1.
What is the InChIKey of methyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate?
The InChIKey is PGVPGNORIMSYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-13-9(12)6-7(15-11-8(6)10)5-2-3-14-4-5/h5H,2-4H2,1H3,(H2,10,11).
What are the key properties of methyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate?
methyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate has a molecular weight of 212.20 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 105465745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).