(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone

C17H18N2O4 — CID 139002955

IUPAC(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone
SMILESCOc1ccc(-c2ocnc2C(=O)N2CC(O)C3(CC3)C2)cc1
InChIInChI=1S/C17H18N2O4/c1-22-12-4-2-11(3-5-12)15-14(18-10-23-15)16(21)19-8-13(20)17(9-19)6-7-17/h2-5,10,13,20H,6-9H2,1H3
InChIKeyWGZJPOUQHSUICV-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.95
Rot. Bonds3

About (7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone

(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone (PubChem CID 139002955) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is (7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone
PubChem CID139002955
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone
SMILESCOc1ccc(-c2ocnc2C(=O)N2CC(O)C3(CC3)C2)cc1
InChIInChI=1S/C17H18N2O4/c1-22-12-4-2-11(3-5-12)15-14(18-10-23-15)16(21)19-8-13(20)17(9-19)6-7-17/h2-5,10,13,20H,6-9H2,1H3
InChIKeyWGZJPOUQHSUICV-UHFFFAOYSA-N
XLogP1.95
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone?
The IUPAC name of (7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone (CID 139002955) is (7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for (7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone?
The canonical SMILES for (7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone is COc1ccc(-c2ocnc2C(=O)N2CC(O)C3(CC3)C2)cc1.
What is the InChIKey of (7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone?
The InChIKey is WGZJPOUQHSUICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-22-12-4-2-11(3-5-12)15-14(18-10-23-15)16(21)19-8-13(20)17(9-19)6-7-17/h2-5,10,13,20H,6-9H2,1H3.
What are the key properties of (7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone?
(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone has a molecular weight of 314.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 139002955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).