2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid

C11H15NO4 — CID 103167347

IUPAC2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
SMILESCOCc1nc(CC2CCC2)oc1C(=O)O
InChIInChI=1S/C11H15NO4/c1-15-6-8-10(11(13)14)16-9(12-8)5-7-3-2-4-7/h7H,2-6H2,1H3,(H,13,14)
InChIKeyKYDBTBPMFHCAIN-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.86
Rot. Bonds5

About 2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid

2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 103167347) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID103167347
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
SMILESCOCc1nc(CC2CCC2)oc1C(=O)O
InChIInChI=1S/C11H15NO4/c1-15-6-8-10(11(13)14)16-9(12-8)5-7-3-2-4-7/h7H,2-6H2,1H3,(H,13,14)
InChIKeyKYDBTBPMFHCAIN-UHFFFAOYSA-N
XLogP1.86
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid (CID 103167347) is 2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid is COCc1nc(CC2CCC2)oc1C(=O)O.
What is the InChIKey of 2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is KYDBTBPMFHCAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-15-6-8-10(11(13)14)16-9(12-8)5-7-3-2-4-7/h7H,2-6H2,1H3,(H,13,14).
What are the key properties of 2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid?
2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 103167347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).