5-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C11H15N3O5 — CID 107427191

IUPAC5-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCOCCN(CCC#N)C(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C11H15N3O5/c1-18-6-5-14(4-2-3-12)10(15)9-7-8(11(16)17)13-19-9/h9H,2,4-7H2,1H3,(H,16,17)
InChIKeyUAVVLXVBJZQDSA-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.40
Rot. Bonds7

About 5-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107427191) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107427191
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name5-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCOCCN(CCC#N)C(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C11H15N3O5/c1-18-6-5-14(4-2-3-12)10(15)9-7-8(11(16)17)13-19-9/h9H,2,4-7H2,1H3,(H,16,17)
InChIKeyUAVVLXVBJZQDSA-UHFFFAOYSA-N
XLogP-0.40
TPSA112.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[Methyl(2,2,2-trifluoroethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426804
5-[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427009
5-[Methyl(3,3,3-trifluoropropyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427294
5-[2,2-Difluoroethyl(methyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427555
5-[2-Hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107482305
5-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 113957910
5-[Propyl(2,2,2-trifluoroethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 113957911
5-[2,2-Difluoroethyl(2-hydroxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 113964704
Ethyl 5-(dimethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylate
CID 101485724
5-(2,4-Dimethylpiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105595306
5-[Methyl(pentyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426504
5-[Methyl(2-methylbutyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426506

Frequently Asked Questions

What is the IUPAC name of 5-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107427191) is 5-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is COCCN(CCC#N)C(=O)C1CC(C(=O)O)=NO1.
What is the InChIKey of 5-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is UAVVLXVBJZQDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-18-6-5-14(4-2-3-12)10(15)9-7-8(11(16)17)13-19-9/h9H,2,4-7H2,1H3,(H,16,17).
What are the key properties of 5-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of -0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107427191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).