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

C19H20N2O4 — CID 119174861

IUPAC6-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCc1oc(-c2ccccc2)nc1C(=O)N1CCC2(CC1)CC2C(=O)O
InChIInChI=1S/C19H20N2O4/c1-12-15(20-16(25-12)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)
InChIKeySKNMXRKNLRWTBY-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.98
Rot. Bonds3

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

6-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119174861) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119174861
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name6-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCc1oc(-c2ccccc2)nc1C(=O)N1CCC2(CC1)CC2C(=O)O
InChIInChI=1S/C19H20N2O4/c1-12-15(20-16(25-12)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)
InChIKeySKNMXRKNLRWTBY-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

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119174861) is 6-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is Cc1oc(-c2ccccc2)nc1C(=O)N1CCC2(CC1)CC2C(=O)O.
What is the InChIKey of 6-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is SKNMXRKNLRWTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-15(20-16(25-12)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-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(5-methyl-2-phenyl-1,3-oxazole-4-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-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119174861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).