5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,2-oxazole-3-carboxylic acid

C15H22N2O3 — CID 62937964

IUPAC5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CN2CCC3(CCCCC3)CC2)on1
InChIInChI=1S/C15H22N2O3/c18-14(19)13-10-12(20-16-13)11-17-8-6-15(7-9-17)4-2-1-3-5-15/h10H,1-9,11H2,(H,18,19)
InChIKeyDRBSNELCXSVCTL-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.92
Rot. Bonds3

About 5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,2-oxazole-3-carboxylic acid

5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 62937964) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,2-oxazole-3-carboxylic acid
PubChem CID62937964
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CN2CCC3(CCCCC3)CC2)on1
InChIInChI=1S/C15H22N2O3/c18-14(19)13-10-12(20-16-13)11-17-8-6-15(7-9-17)4-2-1-3-5-15/h10H,1-9,11H2,(H,18,19)
InChIKeyDRBSNELCXSVCTL-UHFFFAOYSA-N
XLogP2.92
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-oxopiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397903
5-(piperazin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397942
N-[[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62930641
5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397847
5-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 106670144
5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 55117077
5-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397337
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 61397827
5-(azocan-1-ylmethyl)-1,2-oxazole-3-carbohydrazide
CID 63570998
5-[(5-oxo-1,4-diazepan-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 63003611
5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 82691708
5-[(4-hydroxy-4-methylazepan-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 107408898

Frequently Asked Questions

What is the IUPAC name of 5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,2-oxazole-3-carboxylic acid (CID 62937964) is 5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(CN2CCC3(CCCCC3)CC2)on1.
What is the InChIKey of 5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is DRBSNELCXSVCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-14(19)13-10-12(20-16-13)11-17-8-6-15(7-9-17)4-2-1-3-5-15/h10H,1-9,11H2,(H,18,19).
What are the key properties of 5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,2-oxazole-3-carboxylic acid?
5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 62937964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).