(3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone

C20H22N2O3 — CID 139009878

IUPAC(3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone
SMILESCOc1ccc(-c2ocnc2C(=O)N2CC3(CCC3)C2C2CC2)cc1
InChIInChI=1S/C20H22N2O3/c1-24-15-7-5-13(6-8-15)17-16(21-12-25-17)19(23)22-11-20(9-2-10-20)18(22)14-3-4-14/h5-8,12,14,18H,2-4,9-11H2,1H3
InChIKeyGFJUTKSSTRAPGM-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.75
Rot. Bonds4

About (3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone

(3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone (PubChem CID 139009878) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone
PubChem CID139009878
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone
SMILESCOc1ccc(-c2ocnc2C(=O)N2CC3(CCC3)C2C2CC2)cc1
InChIInChI=1S/C20H22N2O3/c1-24-15-7-5-13(6-8-15)17-16(21-12-25-17)19(23)22-11-20(9-2-10-20)18(22)14-3-4-14/h5-8,12,14,18H,2-4,9-11H2,1H3
InChIKeyGFJUTKSSTRAPGM-UHFFFAOYSA-N
XLogP3.75
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone?
The IUPAC name of (3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone (CID 139009878) is (3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for (3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone?
The canonical SMILES for (3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone is COc1ccc(-c2ocnc2C(=O)N2CC3(CCC3)C2C2CC2)cc1.
What is the InChIKey of (3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone?
The InChIKey is GFJUTKSSTRAPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-24-15-7-5-13(6-8-15)17-16(21-12-25-17)19(23)22-11-20(9-2-10-20)18(22)14-3-4-14/h5-8,12,14,18H,2-4,9-11H2,1H3.
What are the key properties of (3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone?
(3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone has a molecular weight of 338.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 139009878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).