5-[methyl(2-methylbutyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C11H18N2O4 — CID 107426506

IUPAC5-[methyl(2-methylbutyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCCC(C)CN(C)C(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C11H18N2O4/c1-4-7(2)6-13(3)10(14)9-5-8(11(15)16)12-17-9/h7,9H,4-6H2,1-3H3,(H,15,16)
InChIKeyZGOVQXCPLRDFEX-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.72
Rot. Bonds5

About 5-[methyl(2-methylbutyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-[methyl(2-methylbutyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107426506) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-[methyl(2-methylbutyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[methyl(2-methylbutyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107426506
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name5-[methyl(2-methylbutyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCCC(C)CN(C)C(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C11H18N2O4/c1-4-7(2)6-13(3)10(14)9-5-8(11(15)16)12-17-9/h7,9H,4-6H2,1-3H3,(H,15,16)
InChIKeyZGOVQXCPLRDFEX-UHFFFAOYSA-N
XLogP0.72
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2-methylbutyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[methyl(2-methylbutyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107426506) is 5-[methyl(2-methylbutyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[methyl(2-methylbutyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[methyl(2-methylbutyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CCC(C)CN(C)C(=O)C1CC(C(=O)O)=NO1.
What is the InChIKey of 5-[methyl(2-methylbutyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is ZGOVQXCPLRDFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-4-7(2)6-13(3)10(14)9-5-8(11(15)16)12-17-9/h7,9H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 5-[methyl(2-methylbutyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-[methyl(2-methylbutyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2-methylbutyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107426506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).