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

C9H11N3O5 — CID 107369222

IUPAC3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
SMILESCC(=O)NCCNC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C9H11N3O5/c1-5(13)10-2-3-11-8(14)6-4-7(9(15)16)17-12-6/h4H,2-3H2,1H3,(H,10,13)(H,11,14)(H,15,16)
InChIKeyOAYWEROZTAKBEH-UHFFFAOYSA-N
MW241.20 g/mol
LogP-0.76
Rot. Bonds5

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

3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 107369222) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is 3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
PubChem CID107369222
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
SMILESCC(=O)NCCNC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C9H11N3O5/c1-5(13)10-2-3-11-8(14)6-4-7(9(15)16)17-12-6/h4H,2-3H2,1H3,(H,10,13)(H,11,14)(H,15,16)
InChIKeyOAYWEROZTAKBEH-UHFFFAOYSA-N
XLogP-0.76
TPSA121.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3,3-dimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107370011
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-[[3-(diethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369935
3-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369510
3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369494
3-[(4-acetamidophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369010
3-(acetamidomethyl)-1,2-oxazole-5-carboxylic acid
CID 167721826
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

Frequently Asked Questions

What is the IUPAC name of 3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid (CID 107369222) is 3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid is CC(=O)NCCNC(=O)c1cc(C(=O)O)on1.
What is the InChIKey of 3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is OAYWEROZTAKBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c1-5(13)10-2-3-11-8(14)6-4-7(9(15)16)17-12-6/h4H,2-3H2,1H3,(H,10,13)(H,11,14)(H,15,16).
What are the key properties of 3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 241.20 g/mol, XLogP of -0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).