5-(cyclobutylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C10H14N2O4 — CID 107426502

IUPAC5-(cyclobutylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)C1=NOC(C(=O)NCC2CCC2)C1
InChIInChI=1S/C10H14N2O4/c13-9(11-5-6-2-1-3-6)8-4-7(10(14)15)12-16-8/h6,8H,1-5H2,(H,11,13)(H,14,15)
InChIKeyPYMSDNXRRLJYEQ-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.13
Rot. Bonds4

About 5-(cyclobutylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-(cyclobutylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107426502) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 5-(cyclobutylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(cyclobutylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107426502
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name5-(cyclobutylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)C1=NOC(C(=O)NCC2CCC2)C1
InChIInChI=1S/C10H14N2O4/c13-9(11-5-6-2-1-3-6)8-4-7(10(14)15)12-16-8/h6,8H,1-5H2,(H,11,13)(H,14,15)
InChIKeyPYMSDNXRRLJYEQ-UHFFFAOYSA-N
XLogP0.13
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4,4,4-Trifluorobutan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105945786
5-(2,2,2-Trifluoroethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426650
5-(3,3,3-Trifluoropropylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427183
5-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427219
5-(2,2-Difluoroethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427403
5-(4,4,4-Trifluorobutylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427404
5-(5,5,5-Trifluoropentylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427405
5-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 114128896
5-(2,2,3,3-Tetrafluoropropylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 114169822
5-(Acetamidomethyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 19108615
5-(3-Carbamoylpyrrolidine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105553840
5-[(1-Cyclopropylcyclopropyl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105668664

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(cyclobutylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107426502) is 5-(cyclobutylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(cyclobutylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(cyclobutylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid is O=C(O)C1=NOC(C(=O)NCC2CCC2)C1.
What is the InChIKey of 5-(cyclobutylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is PYMSDNXRRLJYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c13-9(11-5-6-2-1-3-6)8-4-7(10(14)15)12-16-8/h6,8H,1-5H2,(H,11,13)(H,14,15).
What are the key properties of 5-(cyclobutylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-(cyclobutylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107426502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).