ethyl 3-methyl-5-(methylcarbamoylamino)-1,2-oxazole-4-carboxylate

C9H13N3O4 — CID 70611676

IUPACethyl 3-methyl-5-(methylcarbamoylamino)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(C)noc1NC(=O)NC
InChIInChI=1S/C9H13N3O4/c1-4-15-8(13)6-5(2)12-16-7(6)11-9(14)10-3/h4H2,1-3H3,(H2,10,11,14)
InChIKeySULPGTSQJCKVRI-UHFFFAOYSA-N
MW227.22 g/mol
LogP0.91
Rot. Bonds3

About ethyl 3-methyl-5-(methylcarbamoylamino)-1,2-oxazole-4-carboxylate

ethyl 3-methyl-5-(methylcarbamoylamino)-1,2-oxazole-4-carboxylate (PubChem CID 70611676) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is ethyl 3-methyl-5-(methylcarbamoylamino)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-(methylcarbamoylamino)-1,2-oxazole-4-carboxylate
PubChem CID70611676
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Nameethyl 3-methyl-5-(methylcarbamoylamino)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(C)noc1NC(=O)NC
InChIInChI=1S/C9H13N3O4/c1-4-15-8(13)6-5(2)12-16-7(6)11-9(14)10-3/h4H2,1-3H3,(H2,10,11,14)
InChIKeySULPGTSQJCKVRI-UHFFFAOYSA-N
XLogP0.91
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

butyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate
CID 70611757
ethyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 10103857
ethyl 5-(4-methoxyanilino)-3-methyl-1,2-oxazole-4-carboxylate
CID 44522768
4-ethoxycarbonyl-3-methyl-1,2-oxazole-5-carboxylic acid
CID 15692965
ethyl 3-ethyl-5-(ethylcarbamoylamino)-1,2-oxazole-4-carboxylate
CID 70612585
ethyl 5-[(E)-hydrazinylidenemethyl]-3-methyl-1,2-oxazole-4-carboxylate
CID 14669023
ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 17248983
methyl 3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-oxazole-4-carboxylate
CID 10945034
ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]propanoate
CID 54960600
ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate
CID 167715134
methyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 105434387
ethyl 5-(2-chlorophenyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 141465693

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-(methylcarbamoylamino)-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 3-methyl-5-(methylcarbamoylamino)-1,2-oxazole-4-carboxylate (CID 70611676) is ethyl 3-methyl-5-(methylcarbamoylamino)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-(methylcarbamoylamino)-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-(methylcarbamoylamino)-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(C)noc1NC(=O)NC.
What is the InChIKey of ethyl 3-methyl-5-(methylcarbamoylamino)-1,2-oxazole-4-carboxylate?
The InChIKey is SULPGTSQJCKVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-4-15-8(13)6-5(2)12-16-7(6)11-9(14)10-3/h4H2,1-3H3,(H2,10,11,14).
What are the key properties of ethyl 3-methyl-5-(methylcarbamoylamino)-1,2-oxazole-4-carboxylate?
ethyl 3-methyl-5-(methylcarbamoylamino)-1,2-oxazole-4-carboxylate has a molecular weight of 227.22 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-(methylcarbamoylamino)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 70611676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).