methyl 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate

C9H12N2O4 — CID 54043509

IUPACmethyl 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(C(C)C)noc1NC=O
InChIInChI=1S/C9H12N2O4/c1-5(2)7-6(9(13)14-3)8(10-4-12)15-11-7/h4-5H,1-3H3,(H,10,12)
InChIKeyLNZGIANIMBJQSL-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.15
Rot. Bonds4

About methyl 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate

methyl 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate (PubChem CID 54043509) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is methyl 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate
PubChem CID54043509
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Namemethyl 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(C(C)C)noc1NC=O
InChIInChI=1S/C9H12N2O4/c1-5(2)7-6(9(13)14-3)8(10-4-12)15-11-7/h4-5H,1-3H3,(H,10,12)
InChIKeyLNZGIANIMBJQSL-UHFFFAOYSA-N
XLogP1.15
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate (CID 54043509) is methyl 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate is COC(=O)c1c(C(C)C)noc1NC=O.
What is the InChIKey of methyl 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate?
The InChIKey is LNZGIANIMBJQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-5(2)7-6(9(13)14-3)8(10-4-12)15-11-7/h4-5H,1-3H3,(H,10,12).
What are the key properties of methyl 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate?
methyl 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate has a molecular weight of 212.20 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 54043509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).