3-(pent-4-en-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid

C10H12N2O4 — CID 107369962

IUPAC3-(pent-4-en-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
SMILESC=CCC(C)NC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C10H12N2O4/c1-3-4-6(2)11-9(13)7-5-8(10(14)15)16-12-7/h3,5-6H,1,4H2,2H3,(H,11,13)(H,14,15)
InChIKeyIVWCHKBRIWNHRO-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.07
Rot. Bonds5

About 3-(pent-4-en-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid

3-(pent-4-en-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 107369962) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-(pent-4-en-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(pent-4-en-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
PubChem CID107369962
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name3-(pent-4-en-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
SMILESC=CCC(C)NC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C10H12N2O4/c1-3-4-6(2)11-9(13)7-5-8(10(14)15)16-12-7/h3,5-6H,1,4H2,2H3,(H,11,13)(H,14,15)
InChIKeyIVWCHKBRIWNHRO-UHFFFAOYSA-N
XLogP1.07
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylhexan-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369739
3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369608
3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369219
3-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369708
3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 106346904
3-[propan-2-yl(prop-2-enyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369864
3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369494
3-(1-cyclohexylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369564
3-(2,2,3-trimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 114101640
3-[(4-propan-2-ylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369073
3-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 114182526
3-[1-(2-methylphenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369381

Frequently Asked Questions

What is the IUPAC name of 3-(pent-4-en-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(pent-4-en-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid (CID 107369962) is 3-(pent-4-en-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(pent-4-en-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(pent-4-en-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid is C=CCC(C)NC(=O)c1cc(C(=O)O)on1.
What is the InChIKey of 3-(pent-4-en-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is IVWCHKBRIWNHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-3-4-6(2)11-9(13)7-5-8(10(14)15)16-12-7/h3,5-6H,1,4H2,2H3,(H,11,13)(H,14,15).
What are the key properties of 3-(pent-4-en-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
3-(pent-4-en-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pent-4-en-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).