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

C11H16N2O4 — CID 107370011

IUPAC3-(3,3-dimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
SMILESCC(C)(C)CCNC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C11H16N2O4/c1-11(2,3)4-5-12-9(14)7-6-8(10(15)16)17-13-7/h6H,4-5H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyRRTALVMBCHZYHE-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.54
Rot. Bonds4

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

3-(3,3-dimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 107370011) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-(3,3-dimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3,3-dimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
PubChem CID107370011
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name3-(3,3-dimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
SMILESCC(C)(C)CCNC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C11H16N2O4/c1-11(2,3)4-5-12-9(14)7-6-8(10(15)16)17-13-7/h6H,4-5H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyRRTALVMBCHZYHE-UHFFFAOYSA-N
XLogP1.54
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369222
3-(2,2,3-trimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 114101640
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
3-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369510
3-[[3-(diethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369935
3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369494
3-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369966
3-[2-(2-fluorophenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369074
N-(4,4-dimethylpentyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 130266249
3-(2-methylsulfinylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369983
3-[2-(3-methylphenoxy)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369462

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3,3-dimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid (CID 107370011) is 3-(3,3-dimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3,3-dimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3,3-dimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid is CC(C)(C)CCNC(=O)c1cc(C(=O)O)on1.
What is the InChIKey of 3-(3,3-dimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is RRTALVMBCHZYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-11(2,3)4-5-12-9(14)7-6-8(10(15)16)17-13-7/h6H,4-5H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 3-(3,3-dimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
3-(3,3-dimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107370011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).