methyl 5-carbamoyl-4-methyl-1,3-oxazole-2-carboxylate

C7H8N2O4 — CID 68802843

IUPACmethyl 5-carbamoyl-4-methyl-1,3-oxazole-2-carboxylate
SMILESCOC(=O)c1nc(C)c(C(N)=O)o1
InChIInChI=1S/C7H8N2O4/c1-3-4(5(8)10)13-6(9-3)7(11)12-2/h1-2H3,(H2,8,10)
InChIKeyPAZFMFPZOAYMRJ-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.13
Rot. Bonds2

About methyl 5-carbamoyl-4-methyl-1,3-oxazole-2-carboxylate

methyl 5-carbamoyl-4-methyl-1,3-oxazole-2-carboxylate (PubChem CID 68802843) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is methyl 5-carbamoyl-4-methyl-1,3-oxazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-carbamoyl-4-methyl-1,3-oxazole-2-carboxylate
PubChem CID68802843
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Namemethyl 5-carbamoyl-4-methyl-1,3-oxazole-2-carboxylate
SMILESCOC(=O)c1nc(C)c(C(N)=O)o1
InChIInChI=1S/C7H8N2O4/c1-3-4(5(8)10)13-6(9-3)7(11)12-2/h1-2H3,(H2,8,10)
InChIKeyPAZFMFPZOAYMRJ-UHFFFAOYSA-N
XLogP-0.13
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-carbamoyl-4-methyl-1,3-oxazole-2-carboxylate?
The IUPAC name of methyl 5-carbamoyl-4-methyl-1,3-oxazole-2-carboxylate (CID 68802843) is methyl 5-carbamoyl-4-methyl-1,3-oxazole-2-carboxylate.
What is the SMILES notation for methyl 5-carbamoyl-4-methyl-1,3-oxazole-2-carboxylate?
The canonical SMILES for methyl 5-carbamoyl-4-methyl-1,3-oxazole-2-carboxylate is COC(=O)c1nc(C)c(C(N)=O)o1.
What is the InChIKey of methyl 5-carbamoyl-4-methyl-1,3-oxazole-2-carboxylate?
The InChIKey is PAZFMFPZOAYMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-3-4(5(8)10)13-6(9-3)7(11)12-2/h1-2H3,(H2,8,10).
What are the key properties of methyl 5-carbamoyl-4-methyl-1,3-oxazole-2-carboxylate?
methyl 5-carbamoyl-4-methyl-1,3-oxazole-2-carboxylate has a molecular weight of 184.15 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-carbamoyl-4-methyl-1,3-oxazole-2-carboxylate is sourced from PubChem (CID 68802843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).