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

C12H18N2O4 — CID 114101640

IUPAC3-(2,2,3-trimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
SMILESCC(C)C(C)(C)CNC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C12H18N2O4/c1-7(2)12(3,4)6-13-10(15)8-5-9(11(16)17)18-14-8/h5,7H,6H2,1-4H3,(H,13,15)(H,16,17)
InChIKeyAQOQZYNLUKTMKH-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.78
Rot. Bonds5

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

3-(2,2,3-trimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 114101640) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(2,2,3-trimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,2,3-trimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
PubChem CID114101640
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name3-(2,2,3-trimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
SMILESCC(C)C(C)(C)CNC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C12H18N2O4/c1-7(2)12(3,4)6-13-10(15)8-5-9(11(16)17)18-14-8/h5,7H,6H2,1-4H3,(H,13,15)(H,16,17)
InChIKeyAQOQZYNLUKTMKH-UHFFFAOYSA-N
XLogP1.78
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,3-dimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107370011
3-(2-methylsulfinylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369983
3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369222
3-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 114182526
3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369494
3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369219
3-(2,2-dicyclopropylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369748
3-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369966
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
5-chloro-N-(2,2,3-trimethylbutyl)pyrazine-2-carboxamide
CID 107258493
3-[[3-(diethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369935

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3-trimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(2,2,3-trimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid (CID 114101640) is 3-(2,2,3-trimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(2,2,3-trimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(2,2,3-trimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid is CC(C)C(C)(C)CNC(=O)c1cc(C(=O)O)on1.
What is the InChIKey of 3-(2,2,3-trimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is AQOQZYNLUKTMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-7(2)12(3,4)6-13-10(15)8-5-9(11(16)17)18-14-8/h5,7H,6H2,1-4H3,(H,13,15)(H,16,17).
What are the key properties of 3-(2,2,3-trimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
3-(2,2,3-trimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3-trimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 114101640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).