[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone

C22H22N4O4 — CID 169420051

IUPAC[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1ccc(-c2noc(C3CC3)n2)cc1)N1CCc2oc(C3CCOC3)nc2C1
InChIInChI=1S/C22H22N4O4/c27-22(15-5-1-13(2-6-15)19-24-21(30-25-19)14-3-4-14)26-9-7-18-17(11-26)23-20(29-18)16-8-10-28-12-16/h1-2,5-6,14,16H,3-4,7-12H2
InChIKeyIOFKMZBBQOANKW-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.30
Rot. Bonds4

About [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone

[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 169420051) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID169420051
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1ccc(-c2noc(C3CC3)n2)cc1)N1CCc2oc(C3CCOC3)nc2C1
InChIInChI=1S/C22H22N4O4/c27-22(15-5-1-13(2-6-15)19-24-21(30-25-19)14-3-4-14)26-9-7-18-17(11-26)23-20(29-18)16-8-10-28-12-16/h1-2,5-6,14,16H,3-4,7-12H2
InChIKeyIOFKMZBBQOANKW-UHFFFAOYSA-N
XLogP3.30
TPSA94.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[4-(oxolan-3-yl)phenyl]methanone
CID 170505748
[4-(2-methyltetrazol-5-yl)phenyl]-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169419500
[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 169416755
(4-methoxy-3-methylphenyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169413445
(4-imidazol-1-ylphenyl)-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169420793
[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone
CID 170507073
(5-ethylthiophen-2-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169417631
(3-methyl-1-benzofuran-2-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169411722
[5-(4-methylphenyl)furan-2-yl]-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169420219
1,3-dimethyl-6-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyrimidine-2,4-dione
CID 169414514
[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-phenylphenyl)methanone
CID 169411084
(3-methylsulfonylphenyl)-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169418807

Frequently Asked Questions

What is the IUPAC name of [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone (CID 169420051) is [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone is O=C(c1ccc(-c2noc(C3CC3)n2)cc1)N1CCc2oc(C3CCOC3)nc2C1.
What is the InChIKey of [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is IOFKMZBBQOANKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c27-22(15-5-1-13(2-6-15)19-24-21(30-25-19)14-3-4-14)26-9-7-18-17(11-26)23-20(29-18)16-8-10-28-12-16/h1-2,5-6,14,16H,3-4,7-12H2.
What are the key properties of [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 406.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 169420051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).