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

C11H18N2O4 — CID 106330974

IUPAC5-(3-methylpentan-3-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCCC(C)(CC)NC(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C11H18N2O4/c1-4-11(3,5-2)12-9(14)8-6-7(10(15)16)13-17-8/h8H,4-6H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyVVCDPUMWLMAIMS-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.91
Rot. Bonds5

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

5-(3-methylpentan-3-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 106330974) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-(3-methylpentan-3-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-methylpentan-3-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID106330974
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name5-(3-methylpentan-3-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCCC(C)(CC)NC(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C11H18N2O4/c1-4-11(3,5-2)12-9(14)8-6-7(10(15)16)13-17-8/h8H,4-6H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyVVCDPUMWLMAIMS-UHFFFAOYSA-N
XLogP0.91
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.91
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-Propylcyclopropyl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105706282
5-[(2-Methyloxolan-3-yl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105745246
5-[(1-Methylcyclobutyl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105762551
5-[(1-Ethylcyclobutyl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105762582
5-[(2-Ethylcyclopropyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105762642
5-(2-Cyclopropylpropan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105783324
5-[[1-(2-Methoxyethyl)cyclopropyl]methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105793112
5-[(3-Methyloxan-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105802920

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpentan-3-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3-methylpentan-3-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 106330974) is 5-(3-methylpentan-3-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-methylpentan-3-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3-methylpentan-3-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CCC(C)(CC)NC(=O)C1CC(C(=O)O)=NO1.
What is the InChIKey of 5-(3-methylpentan-3-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is VVCDPUMWLMAIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-4-11(3,5-2)12-9(14)8-6-7(10(15)16)13-17-8/h8H,4-6H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 5-(3-methylpentan-3-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-(3-methylpentan-3-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpentan-3-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 106330974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).