4-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxylic acid

C10H13NO4 — CID 96776388

IUPAC4-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CCOCC2)no1
InChIInChI=1S/C10H13NO4/c1-7-6-8(11-15-7)10(9(12)13)2-4-14-5-3-10/h6H,2-5H2,1H3,(H,12,13)
InChIKeyJIWIHGDGAPFBMV-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.12
Rot. Bonds2

About 4-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxylic acid

4-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxylic acid (PubChem CID 96776388) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxylic acid
PubChem CID96776388
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name4-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CCOCC2)no1
InChIInChI=1S/C10H13NO4/c1-7-6-8(11-15-7)10(9(12)13)2-4-14-5-3-10/h6H,2-5H2,1H3,(H,12,13)
InChIKeyJIWIHGDGAPFBMV-UHFFFAOYSA-N
XLogP1.12
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,2-oxazol-3-yl)oxane-4-carboxylic acid
CID 96758455
4-(1,5-dimethylpyrazol-3-yl)oxane-4-carboxylic acid
CID 96797414
1-(5-methyl-1,2-oxazol-3-yl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 126420941
4-(2-methyl-1,3-oxazol-4-yl)oxane-4-carboxylic acid
CID 96613959
1-[5-(4-methylphenyl)-1,2-oxazol-3-yl]cyclobutane-1-carboxylic acid
CID 102543853
methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylate;hydrochloride
CID 172630249
4-(2-methyl-4-pyridinyl)oxane-4-carboxylic acid
CID 96790013
1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylic acid
CID 172630146
4-(2,5-dimethylphenyl)oxane-4-carboxylic acid
CID 82620301
N-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 126421397
3-(1-chlorocyclopropyl)-5-methyl-1,2-oxazole
CID 135170631
4-(2-methylphenyl)oxane-4-carboxylic acid
CID 18524018

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxylic acid?
The IUPAC name of 4-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxylic acid (CID 96776388) is 4-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxylic acid.
What is the SMILES notation for 4-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxylic acid?
The canonical SMILES for 4-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxylic acid is Cc1cc(C2(C(=O)O)CCOCC2)no1.
What is the InChIKey of 4-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxylic acid?
The InChIKey is JIWIHGDGAPFBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-7-6-8(11-15-7)10(9(12)13)2-4-14-5-3-10/h6H,2-5H2,1H3,(H,12,13).
What are the key properties of 4-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxylic acid?
4-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxylic acid is sourced from PubChem (CID 96776388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).