(4-imidazol-1-ylphenyl)-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone

C21H22N4O3 — CID 169420793

IUPAC(4-imidazol-1-ylphenyl)-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1ccc(-n2ccnc2)cc1)N1CCc2oc(C3CCOCC3)nc2C1
InChIInChI=1S/C21H22N4O3/c26-21(16-1-3-17(4-2-16)25-10-8-22-14-25)24-9-5-19-18(13-24)23-20(28-19)15-6-11-27-12-7-15/h1-4,8,10,14-15H,5-7,9,11-13H2
InChIKeyVOVAANFFKQJELI-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.95
Rot. Bonds3

About (4-imidazol-1-ylphenyl)-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone

(4-imidazol-1-ylphenyl)-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 169420793) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is (4-imidazol-1-ylphenyl)-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4-imidazol-1-ylphenyl)-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID169420793
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name(4-imidazol-1-ylphenyl)-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1ccc(-n2ccnc2)cc1)N1CCc2oc(C3CCOCC3)nc2C1
InChIInChI=1S/C21H22N4O3/c26-21(16-1-3-17(4-2-16)25-10-8-22-14-25)24-9-5-19-18(13-24)23-20(28-19)15-6-11-27-12-7-15/h1-4,8,10,14-15H,5-7,9,11-13H2
InChIKeyVOVAANFFKQJELI-UHFFFAOYSA-N
XLogP2.95
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
[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
[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 169416755
[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone
CID 169411230
[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
(3-methylsulfonylphenyl)-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169418807
[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-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-phenylphenyl)methanone
CID 169411084
[4-(hydroxymethyl)-2-pyridinyl]-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170507140
[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
(4-methoxy-3-methylphenyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169413445
[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 170511702

Frequently Asked Questions

What is the IUPAC name of (4-imidazol-1-ylphenyl)-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (4-imidazol-1-ylphenyl)-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone (CID 169420793) is (4-imidazol-1-ylphenyl)-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (4-imidazol-1-ylphenyl)-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (4-imidazol-1-ylphenyl)-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone is O=C(c1ccc(-n2ccnc2)cc1)N1CCc2oc(C3CCOCC3)nc2C1.
What is the InChIKey of (4-imidazol-1-ylphenyl)-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is VOVAANFFKQJELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-21(16-1-3-17(4-2-16)25-10-8-22-14-25)24-9-5-19-18(13-24)23-20(28-19)15-6-11-27-12-7-15/h1-4,8,10,14-15H,5-7,9,11-13H2.
What are the key properties of (4-imidazol-1-ylphenyl)-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
(4-imidazol-1-ylphenyl)-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 378.43 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazol-1-ylphenyl)-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 169420793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).