5-(2-methylbutan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C10H16N2O4 — CID 107426529

IUPAC5-(2-methylbutan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCCC(C)(C)NC(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C10H16N2O4/c1-4-10(2,3)11-8(13)7-5-6(9(14)15)12-16-7/h7H,4-5H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyOWTGXLPMOYAMIR-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.52
Rot. Bonds4

About 5-(2-methylbutan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-(2-methylbutan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107426529) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-(2-methylbutan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylbutan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107426529
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name5-(2-methylbutan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCCC(C)(C)NC(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C10H16N2O4/c1-4-10(2,3)11-8(13)7-5-6(9(14)15)12-16-7/h7H,4-5H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyOWTGXLPMOYAMIR-UHFFFAOYSA-N
XLogP0.52
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[1-(Trifluoromethyl)cyclopropyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 106216685
5-(2,2,3-Trimethylbutylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105706236
5-[(1-Methylcyclopropyl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105706251
5-[(1-Ethylcyclopropyl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105706266
5-[(1-Methylcyclobutyl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105762551
5-[(2-Ethylcyclopropyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105762642
5-[(2-Propylcyclopropyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105783299
5-(2-Cyclopropylpropan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105783324
5-[(3-Methyloxan-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105802920
5-[(1-Methoxycyclobutyl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105852816
5-[(4-Methoxy-2,2-dimethylbutyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105900830
5-[2-[Butan-2-yl(methyl)amino]ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105970452

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2-methylbutan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107426529) is 5-(2-methylbutan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-methylbutan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2-methylbutan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CCC(C)(C)NC(=O)C1CC(C(=O)O)=NO1.
What is the InChIKey of 5-(2-methylbutan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is OWTGXLPMOYAMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-4-10(2,3)11-8(13)7-5-6(9(14)15)12-16-7/h7H,4-5H2,1-3H3,(H,11,13)(H,14,15).
What are the key properties of 5-(2-methylbutan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-(2-methylbutan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107426529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).