3-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid

C10H12N2O5 — CID 107369165

IUPAC3-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(NCC1CCCO1)c1cc(C(=O)O)on1
InChIInChI=1S/C10H12N2O5/c13-9(11-5-6-2-1-3-16-6)7-4-8(10(14)15)17-12-7/h4,6H,1-3,5H2,(H,11,13)(H,14,15)
InChIKeyDPOYKPJSXKINFJ-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.28
Rot. Bonds4

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

3-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 107369165) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
PubChem CID107369165
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name3-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(NCC1CCCO1)c1cc(C(=O)O)on1
InChIInChI=1S/C10H12N2O5/c13-9(11-5-6-2-1-3-16-6)7-4-8(10(14)15)17-12-7/h4,6H,1-3,5H2,(H,11,13)(H,14,15)
InChIKeyDPOYKPJSXKINFJ-UHFFFAOYSA-N
XLogP0.28
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732
3-(oxan-4-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369661
N-(oxolan-2-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90326032
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
5-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 1093775
3-methoxy-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 90573784
5-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 99599447
2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 110849464
4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466
5-[[benzoyl(oxolan-2-ylmethyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide
CID 23820023
N-(oxolan-2-ylmethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574102
3-(2,2-dicyclopropylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369748

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid (CID 107369165) is 3-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid is O=C(NCC1CCCO1)c1cc(C(=O)O)on1.
What is the InChIKey of 3-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is DPOYKPJSXKINFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c13-9(11-5-6-2-1-3-16-6)7-4-8(10(14)15)17-12-7/h4,6H,1-3,5H2,(H,11,13)(H,14,15).
What are the key properties of 3-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
3-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 240.21 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).