3-(2,2-dicyclopropylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid

C13H16N2O4 — CID 107369748

IUPAC3-(2,2-dicyclopropylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(NCC(C1CC1)C1CC1)c1cc(C(=O)O)on1
InChIInChI=1S/C13H16N2O4/c16-12(10-5-11(13(17)18)19-15-10)14-6-9(7-1-2-7)8-3-4-8/h5,7-9H,1-4,6H2,(H,14,16)(H,17,18)
InChIKeyDPJQLWWKPMSGPN-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.54
Rot. Bonds6

About 3-(2,2-dicyclopropylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid

3-(2,2-dicyclopropylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 107369748) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-(2,2-dicyclopropylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,2-dicyclopropylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
PubChem CID107369748
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3-(2,2-dicyclopropylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(NCC(C1CC1)C1CC1)c1cc(C(=O)O)on1
InChIInChI=1S/C13H16N2O4/c16-12(10-5-11(13(17)18)19-15-10)14-6-9(7-1-2-7)8-3-4-8/h5,7-9H,1-4,6H2,(H,14,16)(H,17,18)
InChIKeyDPJQLWWKPMSGPN-UHFFFAOYSA-N
XLogP1.54
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylsulfinylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369983
3-(oxan-4-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369661
3-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369165
3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369222
3-(1-cyclohexylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369564
N-(2-cyclopropyl-2-hydroxyethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 63295331
3-(2,2,3-trimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 114101640
3-(3,3-dimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107370011
3-[(1-propylpiperidin-4-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369393
3-[(2-methylcyclopropyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369563
3-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369491
3-(3-methylsulfanylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369677

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dicyclopropylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(2,2-dicyclopropylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid (CID 107369748) is 3-(2,2-dicyclopropylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(2,2-dicyclopropylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(2,2-dicyclopropylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid is O=C(NCC(C1CC1)C1CC1)c1cc(C(=O)O)on1.
What is the InChIKey of 3-(2,2-dicyclopropylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is DPJQLWWKPMSGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-12(10-5-11(13(17)18)19-15-10)14-6-9(7-1-2-7)8-3-4-8/h5,7-9H,1-4,6H2,(H,14,16)(H,17,18).
What are the key properties of 3-(2,2-dicyclopropylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
3-(2,2-dicyclopropylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dicyclopropylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).