3-(3-pyrazol-1-ylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid

C11H12N4O4 — CID 107369939

IUPAC3-(3-pyrazol-1-ylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(NCCCn1cccn1)c1cc(C(=O)O)on1
InChIInChI=1S/C11H12N4O4/c16-10(8-7-9(11(17)18)19-14-8)12-3-1-5-15-6-2-4-13-15/h2,4,6-7H,1,3,5H2,(H,12,16)(H,17,18)
InChIKeyKUIKSDURTQOTDF-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.39
Rot. Bonds6

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

3-(3-pyrazol-1-ylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 107369939) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 3-(3-pyrazol-1-ylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-pyrazol-1-ylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid
PubChem CID107369939
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name3-(3-pyrazol-1-ylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(NCCCn1cccn1)c1cc(C(=O)O)on1
InChIInChI=1S/C11H12N4O4/c16-10(8-7-9(11(17)18)19-14-8)12-3-1-5-15-6-2-4-13-15/h2,4,6-7H,1,3,5H2,(H,12,16)(H,17,18)
InChIKeyKUIKSDURTQOTDF-UHFFFAOYSA-N
XLogP0.39
TPSA110.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(3-pyrazol-1-ylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid
CID 113412435
3,5-dimethyl-N-(3-pyrazol-1-ylpropyl)-1,2-oxazole-4-carboxamide
CID 37394488
3-(3-methylsulfanylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369677
3-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369510
3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369222
5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37394680
N-(10-pyrazol-1-yldecyl)benzamide
CID 14662167
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
5,6-dichloro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 112684462
2-[3-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19504324
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

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyrazol-1-ylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3-pyrazol-1-ylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid (CID 107369939) is 3-(3-pyrazol-1-ylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-pyrazol-1-ylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3-pyrazol-1-ylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid is O=C(NCCCn1cccn1)c1cc(C(=O)O)on1.
What is the InChIKey of 3-(3-pyrazol-1-ylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is KUIKSDURTQOTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c16-10(8-7-9(11(17)18)19-14-8)12-3-1-5-15-6-2-4-13-15/h2,4,6-7H,1,3,5H2,(H,12,16)(H,17,18).
What are the key properties of 3-(3-pyrazol-1-ylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
3-(3-pyrazol-1-ylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 264.24 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyrazol-1-ylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).