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

C11H16N2O4 — CID 107426508

IUPAC5-(cyclopentylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)C1=NOC(C(=O)NCC2CCCC2)C1
InChIInChI=1S/C11H16N2O4/c14-10(12-6-7-3-1-2-4-7)9-5-8(11(15)16)13-17-9/h7,9H,1-6H2,(H,12,14)(H,15,16)
InChIKeyYDNZWWCVEZKKHE-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.52
Rot. Bonds4

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

5-(cyclopentylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107426508) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-(cyclopentylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopentylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107426508
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name5-(cyclopentylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)C1=NOC(C(=O)NCC2CCCC2)C1
InChIInChI=1S/C11H16N2O4/c14-10(12-6-7-3-1-2-4-7)9-5-8(11(15)16)13-17-9/h7,9H,1-6H2,(H,12,14)(H,15,16)
InChIKeyYDNZWWCVEZKKHE-UHFFFAOYSA-N
XLogP0.52
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,3,3-Trifluoropropylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427183
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-(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
5-[2-(Cyclopropylmethoxy)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105684256
5-[3-(Cyclopropylmethoxy)propylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105684277
5-[(4-Methylcycloheptyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105706190
5-(2,2,3-Trimethylbutylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105706236
5-[(1-Methylcyclopropyl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105706251
5-[(1-Ethylcyclopropyl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105706266
5-[(1-Propylcyclopropyl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105706282

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(cyclopentylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107426508) is 5-(cyclopentylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(cyclopentylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(cyclopentylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid is O=C(O)C1=NOC(C(=O)NCC2CCCC2)C1.
What is the InChIKey of 5-(cyclopentylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is YDNZWWCVEZKKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c14-10(12-6-7-3-1-2-4-7)9-5-8(11(15)16)13-17-9/h7,9H,1-6H2,(H,12,14)(H,15,16).
What are the key properties of 5-(cyclopentylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-(cyclopentylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107426508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).