4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl-(6-propan-2-yloxy-2-pyridinyl)methanone

C19H21N3O3 — CID 127728475

IUPAC4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl-(6-propan-2-yloxy-2-pyridinyl)methanone
SMILESCC(C)Oc1cccc(C(=O)N2CCN3CCOc4cccc2c43)n1
InChIInChI=1S/C19H21N3O3/c1-13(2)25-17-8-3-5-14(20-17)19(23)22-10-9-21-11-12-24-16-7-4-6-15(22)18(16)21/h3-8,13H,9-12H2,1-2H3
InChIKeyZOAYBDGCUNOUOB-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.73
Rot. Bonds3

About 4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl-(6-propan-2-yloxy-2-pyridinyl)methanone

4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl-(6-propan-2-yloxy-2-pyridinyl)methanone (PubChem CID 127728475) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl-(6-propan-2-yloxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl-(6-propan-2-yloxy-2-pyridinyl)methanone
PubChem CID127728475
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl-(6-propan-2-yloxy-2-pyridinyl)methanone
SMILESCC(C)Oc1cccc(C(=O)N2CCN3CCOc4cccc2c43)n1
InChIInChI=1S/C19H21N3O3/c1-13(2)25-17-8-3-5-14(20-17)19(23)22-10-9-21-11-12-24-16-7-4-6-15(22)18(16)21/h3-8,13H,9-12H2,1-2H3
InChIKeyZOAYBDGCUNOUOB-UHFFFAOYSA-N
XLogP2.73
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl-(6-propan-2-yloxy-2-pyridinyl)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

furan-2-yl(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)methanone
CID 110670703
2-methoxy-1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)ethanone
CID 75440676
N-tert-butyl-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-10-carboxamide
CID 110670838
10-(4-propan-2-yloxyphenyl)sulfonyl-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 110670820
1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)-2-quinolin-8-ylethanone
CID 75440782
3-(4-methylphenyl)-1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)propan-1-one
CID 110670755
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)ethanone
CID 128559841
N-[1-(dimethylamino)-4-hydroxybutan-2-yl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-10-carboxamide
CID 167836716
(7-phenyl-1,4-oxazepan-4-yl)-(6-propan-2-yloxy-2-pyridinyl)methanone
CID 138009810
2-methyl-2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120518663
2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120520363
N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methyl-6-propan-2-yloxypyridine-2-carboxamide
CID 97242334

Frequently Asked Questions

What is the IUPAC name of 4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl-(6-propan-2-yloxy-2-pyridinyl)methanone?
The IUPAC name of 4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl-(6-propan-2-yloxy-2-pyridinyl)methanone (CID 127728475) is 4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl-(6-propan-2-yloxy-2-pyridinyl)methanone.
What is the SMILES notation for 4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl-(6-propan-2-yloxy-2-pyridinyl)methanone?
The canonical SMILES for 4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl-(6-propan-2-yloxy-2-pyridinyl)methanone is CC(C)Oc1cccc(C(=O)N2CCN3CCOc4cccc2c43)n1.
What is the InChIKey of 4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl-(6-propan-2-yloxy-2-pyridinyl)methanone?
The InChIKey is ZOAYBDGCUNOUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13(2)25-17-8-3-5-14(20-17)19(23)22-10-9-21-11-12-24-16-7-4-6-15(22)18(16)21/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl-(6-propan-2-yloxy-2-pyridinyl)methanone?
4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl-(6-propan-2-yloxy-2-pyridinyl)methanone has a molecular weight of 339.40 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl-(6-propan-2-yloxy-2-pyridinyl)methanone is sourced from PubChem (CID 127728475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).