3-(oxan-4-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid

C11H14N2O5 — CID 107369661

IUPAC3-(oxan-4-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(NCC1CCOCC1)c1cc(C(=O)O)on1
InChIInChI=1S/C11H14N2O5/c14-10(8-5-9(11(15)16)18-13-8)12-6-7-1-3-17-4-2-7/h5,7H,1-4,6H2,(H,12,14)(H,15,16)
InChIKeyXJUAUFNYUILGCG-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.53
Rot. Bonds4

About 3-(oxan-4-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid

3-(oxan-4-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 107369661) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 3-(oxan-4-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(oxan-4-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
PubChem CID107369661
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name3-(oxan-4-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(NCC1CCOCC1)c1cc(C(=O)O)on1
InChIInChI=1S/C11H14N2O5/c14-10(8-5-9(11(15)16)18-13-8)12-6-7-1-3-17-4-2-7/h5,7H,1-4,6H2,(H,12,14)(H,15,16)
InChIKeyXJUAUFNYUILGCG-UHFFFAOYSA-N
XLogP0.53
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369165
3-(2,2-dicyclopropylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369748
5-[(4-bromophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 118536681
N-(oxolan-3-ylmethyl)-5-(1-phenylmethoxyethyl)-1,2-oxazole-3-carboxamide
CID 90326189
5-(benzylsulfanylmethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90326219
5-[(3,4-dichlorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 118536638
3-(4-methoxyphenyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 16762540
6-chloro-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide
CID 63712476
5-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 118554973
3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369222
5-[(3,4-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325875
N-(oxolan-3-ylmethyl)-5-(4-phenoxybutyl)-1,2-oxazole-3-carboxamide
CID 90325844

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(oxan-4-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid (CID 107369661) is 3-(oxan-4-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(oxan-4-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(oxan-4-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid is O=C(NCC1CCOCC1)c1cc(C(=O)O)on1.
What is the InChIKey of 3-(oxan-4-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is XJUAUFNYUILGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c14-10(8-5-9(11(15)16)18-13-8)12-6-7-1-3-17-4-2-7/h5,7H,1-4,6H2,(H,12,14)(H,15,16).
What are the key properties of 3-(oxan-4-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
3-(oxan-4-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 254.24 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).