3-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid

C10H13N3O5 — CID 107369491

IUPAC3-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCN(C)C(=O)CCNC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C10H13N3O5/c1-13(2)8(14)3-4-11-9(15)6-5-7(10(16)17)18-12-6/h5H,3-4H2,1-2H3,(H,11,15)(H,16,17)
InChIKeyAWEWLRXNPOHJJQ-UHFFFAOYSA-N
MW255.23 g/mol
LogP-0.42
Rot. Bonds5

About 3-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid

3-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369491) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 3-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369491
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name3-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCN(C)C(=O)CCNC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C10H13N3O5/c1-13(2)8(14)3-4-11-9(15)6-5-7(10(16)17)18-12-6/h5H,3-4H2,1-2H3,(H,11,15)(H,16,17)
InChIKeyAWEWLRXNPOHJJQ-UHFFFAOYSA-N
XLogP-0.42
TPSA112.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(diethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369935
3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369222
3-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369510
3-(3,3-dimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107370011
3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369494
3-(3-methylsulfanylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369677
3-(2,2,3-trimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 114101640
3-[2-(2-fluorophenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369074
3-(2-methylsulfinylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369983
3-[2-(3-methylphenoxy)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369462
3-[methyl(propyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369205
3-(3-pyrazol-1-ylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369939

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369491) is 3-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid is CN(C)C(=O)CCNC(=O)c1cc(C(=O)O)on1.
What is the InChIKey of 3-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is AWEWLRXNPOHJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-13(2)8(14)3-4-11-9(15)6-5-7(10(16)17)18-12-6/h5H,3-4H2,1-2H3,(H,11,15)(H,16,17).
What are the key properties of 3-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 255.23 g/mol, XLogP of -0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).