methyl 3-methyl-5-(propan-2-ylcarbamoyl)-1,2-oxazole-4-carboxylate

C10H14N2O4 — CID 15692969

IUPACmethyl 3-methyl-5-(propan-2-ylcarbamoyl)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(C)noc1C(=O)NC(C)C
InChIInChI=1S/C10H14N2O4/c1-5(2)11-9(13)8-7(10(14)15-4)6(3)12-16-8/h5H,1-4H3,(H,11,13)
InChIKeyFUYVZZDKKCJMOG-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.91
Rot. Bonds3

About methyl 3-methyl-5-(propan-2-ylcarbamoyl)-1,2-oxazole-4-carboxylate

methyl 3-methyl-5-(propan-2-ylcarbamoyl)-1,2-oxazole-4-carboxylate (PubChem CID 15692969) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 3-methyl-5-(propan-2-ylcarbamoyl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-5-(propan-2-ylcarbamoyl)-1,2-oxazole-4-carboxylate
PubChem CID15692969
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Namemethyl 3-methyl-5-(propan-2-ylcarbamoyl)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(C)noc1C(=O)NC(C)C
InChIInChI=1S/C10H14N2O4/c1-5(2)11-9(13)8-7(10(14)15-4)6(3)12-16-8/h5H,1-4H3,(H,11,13)
InChIKeyFUYVZZDKKCJMOG-UHFFFAOYSA-N
XLogP0.91
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 3946039
Methyl 3-(chloromethyl)-5-(2-methoxyethylcarbamoyl)-1,2-oxazole-4-carboxylate
CID 11958479
Methyl 3-(chloromethyl)-5-(propan-2-ylcarbamoyl)-1,2-oxazole-4-carboxylate
CID 11958552
Methyl 5-(butylcarbamoyl)-3-(chloromethyl)-1,2-oxazole-4-carboxylate
CID 11958554
[2-(Cyclopropylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2520589
Methyl 3-(chloromethyl)-5-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-4-carboxylate
CID 11958553
Methyl 3-(chloromethyl)-5-(prop-2-enylcarbamoyl)-1,2-oxazole-4-carboxylate
CID 11958555
3-(Cyclopropylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 5325757
5-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 75368318
5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 75368319
3-methyl-5-[(1R)-1-(3-methylbutanoylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 75368334
5-Tert-butylaminocarbonyl-3-methylisoxazole-4-carboxylic acid
CID 15692972

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-5-(propan-2-ylcarbamoyl)-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 3-methyl-5-(propan-2-ylcarbamoyl)-1,2-oxazole-4-carboxylate (CID 15692969) is methyl 3-methyl-5-(propan-2-ylcarbamoyl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 3-methyl-5-(propan-2-ylcarbamoyl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 3-methyl-5-(propan-2-ylcarbamoyl)-1,2-oxazole-4-carboxylate is COC(=O)c1c(C)noc1C(=O)NC(C)C.
What is the InChIKey of methyl 3-methyl-5-(propan-2-ylcarbamoyl)-1,2-oxazole-4-carboxylate?
The InChIKey is FUYVZZDKKCJMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-5(2)11-9(13)8-7(10(14)15-4)6(3)12-16-8/h5H,1-4H3,(H,11,13).
What are the key properties of methyl 3-methyl-5-(propan-2-ylcarbamoyl)-1,2-oxazole-4-carboxylate?
methyl 3-methyl-5-(propan-2-ylcarbamoyl)-1,2-oxazole-4-carboxylate has a molecular weight of 226.23 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-5-(propan-2-ylcarbamoyl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 15692969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).