6-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

C19H20N2O4 — CID 120514826

IUPAC6-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCc1nc(-c2ccccc2)oc1C(=O)N1CCC2(CC1)CC2C(=O)O
InChIInChI=1S/C19H20N2O4/c1-12-15(25-16(20-12)13-5-3-2-4-6-13)17(22)21-9-7-19(8-10-21)11-14(19)18(23)24/h2-6,14H,7-11H2,1H3,(H,23,24)
InChIKeyXGUVFIASJRTHTO-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.98
Rot. Bonds3

About 6-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

6-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 120514826) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID120514826
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name6-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCc1nc(-c2ccccc2)oc1C(=O)N1CCC2(CC1)CC2C(=O)O
InChIInChI=1S/C19H20N2O4/c1-12-15(25-16(20-12)13-5-3-2-4-6-13)17(22)21-9-7-19(8-10-21)11-14(19)18(23)24/h2-6,14H,7-11H2,1H3,(H,23,24)
InChIKeyXGUVFIASJRTHTO-UHFFFAOYSA-N
XLogP2.98
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid with MolForge

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Related Compounds

6-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174861
5-methyl-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122118114
1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindol-2-yl-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone
CID 128595879
6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175001
(2R)-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid
CID 120537508
6-(2-phenylquinoline-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514628
(4-methyl-2-phenyl-1,3-oxazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 124607744
[4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride
CID 119664718
[3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone
CID 119399002
[3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride
CID 119399001
6-(5-methyl-1,2-oxazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136491
6-(2,5-dimethylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175577

Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 120514826) is 6-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is Cc1nc(-c2ccccc2)oc1C(=O)N1CCC2(CC1)CC2C(=O)O.
What is the InChIKey of 6-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is XGUVFIASJRTHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-15(25-16(20-12)13-5-3-2-4-6-13)17(22)21-9-7-19(8-10-21)11-14(19)18(23)24/h2-6,14H,7-11H2,1H3,(H,23,24).
What are the key properties of 6-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 120514826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).