5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylic acid

C8H10N2O4 — CID 54064613

IUPAC5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylic acid
SMILESCC(C)c1noc(NC=O)c1C(=O)O
InChIInChI=1S/C8H10N2O4/c1-4(2)6-5(8(12)13)7(9-3-11)14-10-6/h3-4H,1-2H3,(H,9,11)(H,12,13)
InChIKeyMCBSZCWVMTXBFH-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.06
Rot. Bonds4

About 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylic acid

5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 54064613) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylic acid
PubChem CID54064613
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylic acid
SMILESCC(C)c1noc(NC=O)c1C(=O)O
InChIInChI=1S/C8H10N2O4/c1-4(2)6-5(8(12)13)7(9-3-11)14-10-6/h3-4H,1-2H3,(H,9,11)(H,12,13)
InChIKeyMCBSZCWVMTXBFH-UHFFFAOYSA-N
XLogP1.06
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylic acid (CID 54064613) is 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylic acid is CC(C)c1noc(NC=O)c1C(=O)O.
What is the InChIKey of 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is MCBSZCWVMTXBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-4(2)6-5(8(12)13)7(9-3-11)14-10-6/h3-4H,1-2H3,(H,9,11)(H,12,13).
What are the key properties of 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylic acid?
5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 198.18 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 54064613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).