2-[4-(5-methyltetrazol-1-yl)phenyl]-1-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone

C21H24N6O3 — CID 169418719

IUPAC2-[4-(5-methyltetrazol-1-yl)phenyl]-1-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
SMILESCc1nnnn1-c1ccc(CC(=O)N2CCc3oc(C4CCOCC4)nc3C2)cc1
InChIInChI=1S/C21H24N6O3/c1-14-23-24-25-27(14)17-4-2-15(3-5-17)12-20(28)26-9-6-19-18(13-26)22-21(30-19)16-7-10-29-11-8-16/h2-5,16H,6-13H2,1H3
InChIKeyHUNKITKXDXGASH-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.98
Rot. Bonds4

About 2-[4-(5-methyltetrazol-1-yl)phenyl]-1-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone

2-[4-(5-methyltetrazol-1-yl)phenyl]-1-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone (PubChem CID 169418719) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-[4-(5-methyltetrazol-1-yl)phenyl]-1-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-[4-(5-methyltetrazol-1-yl)phenyl]-1-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
PubChem CID169418719
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name2-[4-(5-methyltetrazol-1-yl)phenyl]-1-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
SMILESCc1nnnn1-c1ccc(CC(=O)N2CCc3oc(C4CCOCC4)nc3C2)cc1
InChIInChI=1S/C21H24N6O3/c1-14-23-24-25-27(14)17-4-2-15(3-5-17)12-20(28)26-9-6-19-18(13-26)22-21(30-19)16-7-10-29-11-8-16/h2-5,16H,6-13H2,1H3
InChIKeyHUNKITKXDXGASH-UHFFFAOYSA-N
XLogP1.98
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-(5-methyltetrazol-1-yl)phenyl]-1-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone 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

[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
N-[2-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]methanesulfonamide
CID 170510030
1-(6-hydroxy-1,4-oxazepan-4-yl)-2-[4-(5-methyltetrazol-1-yl)phenyl]ethanone
CID 70707776
[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
[4-(hydroxymethyl)-2-pyridinyl]-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170507140
[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
(3-methylsulfonylphenyl)-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169418807
(4-imidazol-1-ylphenyl)-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169420793
1-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 169421737
1-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-4-pyrazol-1-ylbutan-1-one
CID 170504109
2-(4-fluorophenyl)-2-hydroxy-1-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 170507538
[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-phenylphenyl)methanone
CID 169411084

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyltetrazol-1-yl)phenyl]-1-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-[4-(5-methyltetrazol-1-yl)phenyl]-1-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone (CID 169418719) is 2-[4-(5-methyltetrazol-1-yl)phenyl]-1-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-[4-(5-methyltetrazol-1-yl)phenyl]-1-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-[4-(5-methyltetrazol-1-yl)phenyl]-1-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone is Cc1nnnn1-c1ccc(CC(=O)N2CCc3oc(C4CCOCC4)nc3C2)cc1.
What is the InChIKey of 2-[4-(5-methyltetrazol-1-yl)phenyl]-1-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone?
The InChIKey is HUNKITKXDXGASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-14-23-24-25-27(14)17-4-2-15(3-5-17)12-20(28)26-9-6-19-18(13-26)22-21(30-19)16-7-10-29-11-8-16/h2-5,16H,6-13H2,1H3.
What are the key properties of 2-[4-(5-methyltetrazol-1-yl)phenyl]-1-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone?
2-[4-(5-methyltetrazol-1-yl)phenyl]-1-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone has a molecular weight of 408.46 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyltetrazol-1-yl)phenyl]-1-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 169418719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).