5-[1-(oxolan-3-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C11H16N2O5 — CID 107427575

IUPAC5-[1-(oxolan-3-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCC(NC(=O)C1CC(C(=O)O)=NO1)C1CCOC1
InChIInChI=1S/C11H16N2O5/c1-6(7-2-3-17-5-7)12-10(14)9-4-8(11(15)16)13-18-9/h6-7,9H,2-5H2,1H3,(H,12,14)(H,15,16)
InChIKeyNSXLNVHXDHUADX-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.24
Rot. Bonds4

About 5-[1-(oxolan-3-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-[1-(oxolan-3-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107427575) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-[1-(oxolan-3-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[1-(oxolan-3-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107427575
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name5-[1-(oxolan-3-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCC(NC(=O)C1CC(C(=O)O)=NO1)C1CCOC1
InChIInChI=1S/C11H16N2O5/c1-6(7-2-3-17-5-7)12-10(14)9-4-8(11(15)16)13-18-9/h6-7,9H,2-5H2,1H3,(H,12,14)(H,15,16)
InChIKeyNSXLNVHXDHUADX-UHFFFAOYSA-N
XLogP-0.24
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427037
5-(1-ethoxypropan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427031
4-[1-(oxolan-3-yl)ethylcarbamoyl]benzoic acid
CID 113263166
5-(1-methylsulfanylbutan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427545
2-hydroxy-2-methyl-N-[1-(oxolan-3-yl)ethyl]propanamide
CID 103430535
5-(1,4-dioxan-2-ylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426818
5-(4-methylpentylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427166
5-[1-(3-bromophenyl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426950
2-amino-N-[1-(oxolan-3-yl)ethyl]acetamide
CID 115734721
2-methoxy-N-[1-(oxolan-3-yl)ethyl]propanamide
CID 115648955
3-[[(1R)-1-[(3R)-oxolan-3-yl]ethyl]carbamoyl]benzoic acid
CID 124595766
4-[1-(oxolan-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 113263165

Frequently Asked Questions

What is the IUPAC name of 5-[1-(oxolan-3-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[1-(oxolan-3-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107427575) is 5-[1-(oxolan-3-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[1-(oxolan-3-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[1-(oxolan-3-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CC(NC(=O)C1CC(C(=O)O)=NO1)C1CCOC1.
What is the InChIKey of 5-[1-(oxolan-3-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is NSXLNVHXDHUADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-6(7-2-3-17-5-7)12-10(14)9-4-8(11(15)16)13-18-9/h6-7,9H,2-5H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 5-[1-(oxolan-3-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-[1-(oxolan-3-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(oxolan-3-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107427575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).