2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-oxazole-4-carboxylic acid

C11H14N2O5 — CID 130985561

IUPAC2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(CN2CCC3(C2)OCCO3)n1
InChIInChI=1S/C11H14N2O5/c14-10(15)8-6-16-9(12-8)5-13-2-1-11(7-13)17-3-4-18-11/h6H,1-5,7H2,(H,14,15)
InChIKeyXKGWOSMPXYEGIN-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.32
Rot. Bonds3

About 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-oxazole-4-carboxylic acid

2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 130985561) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-oxazole-4-carboxylic acid
PubChem CID130985561
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(CN2CCC3(C2)OCCO3)n1
InChIInChI=1S/C11H14N2O5/c14-10(15)8-6-16-9(12-8)5-13-2-1-11(7-13)17-3-4-18-11/h6H,1-5,7H2,(H,14,15)
InChIKeyXKGWOSMPXYEGIN-UHFFFAOYSA-N
XLogP0.32
TPSA85.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-oxazole-4-carboxylic acid with MolForge

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Related Compounds

2-(piperidin-1-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 68621530
2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1,3-thiazole-4-carboxylic acid
CID 131195911
2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 178131740
2-(oxan-4-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 115082568
2-[[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 67128434
2-(cyclopentylmethyl)-1,3-oxazole-4-carboxylic acid
CID 62234263
2-[[4-[2-[(1S,2S)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 147869363
7-[(2-chloro-4-pyridinyl)methyl]-1,4-dioxa-7-azaspiro[4.4]nonane
CID 131110971
2-(2,3-dihydroindol-1-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 82294084
3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2-difluoropropanoic acid
CID 165467220
2-(oxolan-3-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 115082408
7-(1H-imidazol-2-ylmethyl)-1,4-dioxa-7-azaspiro[4.4]nonane
CID 130863312

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-oxazole-4-carboxylic acid (CID 130985561) is 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(CN2CCC3(C2)OCCO3)n1.
What is the InChIKey of 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is XKGWOSMPXYEGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c14-10(15)8-6-16-9(12-8)5-13-2-1-11(7-13)17-3-4-18-11/h6H,1-5,7H2,(H,14,15).
What are the key properties of 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-oxazole-4-carboxylic acid?
2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 254.24 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 130985561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).