3-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid

C11H17N3O4 — CID 107369510

IUPAC3-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCN(C)CCCCNC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C11H17N3O4/c1-14(2)6-4-3-5-12-10(15)8-7-9(11(16)17)18-13-8/h7H,3-6H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyRKHRZDKRZPTIRE-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.44
Rot. Bonds7

About 3-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid

3-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369510) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369510
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name3-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCN(C)CCCCNC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C11H17N3O4/c1-14(2)6-4-3-5-12-10(15)8-7-9(11(16)17)18-13-8/h7H,3-6H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyRKHRZDKRZPTIRE-UHFFFAOYSA-N
XLogP0.44
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369222
N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 118698825
3-(3,3-dimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107370011
3-[[3-(diethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369935
3-(3-pyrazol-1-ylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369939
3-[butyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369089
N-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide
CID 139676207
3-[methyl(propyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369205
2-[4-(dimethylamino)butylcarbamoyl]-3,6-dimethylbenzoic acid
CID 103429022
N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369510) is 3-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid is CN(C)CCCCNC(=O)c1cc(C(=O)O)on1.
What is the InChIKey of 3-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is RKHRZDKRZPTIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-14(2)6-4-3-5-12-10(15)8-7-9(11(16)17)18-13-8/h7H,3-6H2,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 3-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).