7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-phenyl-5-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one

C25H20N4O3 — CID 86299121

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-phenyl-5-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one
SMILESCc1noc(C)c1-c1cc(-c2cccnc2)c2[nH]c(=O)n3c2c1OCC3c1ccccc1
InChIInChI=1S/C25H20N4O3/c1-14-21(15(2)32-28-14)19-11-18(17-9-6-10-26-12-17)22-23-24(19)31-13-20(29(23)25(30)27-22)16-7-4-3-5-8-16/h3-12,20H,13H2,1-2H3,(H,27,30)
InChIKeyRWGPRTYKDOQMSK-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.65
Rot. Bonds3

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-phenyl-5-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one

7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-phenyl-5-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one (PubChem CID 86299121) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-phenyl-5-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-phenyl-5-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one
PubChem CID86299121
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-phenyl-5-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one
SMILESCc1noc(C)c1-c1cc(-c2cccnc2)c2[nH]c(=O)n3c2c1OCC3c1ccccc1
InChIInChI=1S/C25H20N4O3/c1-14-21(15(2)32-28-14)19-11-18(17-9-6-10-26-12-17)22-23-24(19)31-13-20(29(23)25(30)27-22)16-7-4-3-5-8-16/h3-12,20H,13H2,1-2H3,(H,27,30)
InChIKeyRWGPRTYKDOQMSK-UHFFFAOYSA-N
XLogP4.65
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-phenyl-5-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one 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

(11S)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-5-pyrimidin-5-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one
CID 90409685
(11S)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-2-oxo-11-phenyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-5-carboxamide
CID 154584695
5-bromo-7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 86299254
7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-5-carbonitrile
CID 86299255
N-[[(11S)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
CID 90409243
7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-(5-fluoro-3-pyridinyl)-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one
CID 90410046
1-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-11-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl]pyrrolidin-3-ol
CID 86299223
2-chloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-phenyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene
CID 90410174
3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-yl]pyridine-2-carboxamide
CID 86299180
1-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]pyrrolidin-3-ol
CID 123885846
(3S)-1-[(11S)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]pyrrolidin-3-ol
CID 90409565
11-[2-(aminomethyl)-3-pyridinyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one
CID 86299181

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-phenyl-5-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-phenyl-5-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one (CID 86299121) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-phenyl-5-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-phenyl-5-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-phenyl-5-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one is Cc1noc(C)c1-c1cc(-c2cccnc2)c2[nH]c(=O)n3c2c1OCC3c1ccccc1.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-phenyl-5-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one?
The InChIKey is RWGPRTYKDOQMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c1-14-21(15(2)32-28-14)19-11-18(17-9-6-10-26-12-17)22-23-24(19)31-13-20(29(23)25(30)27-22)16-7-4-3-5-8-16/h3-12,20H,13H2,1-2H3,(H,27,30).
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-phenyl-5-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-phenyl-5-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one has a molecular weight of 424.46 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-phenyl-5-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one is sourced from PubChem (CID 86299121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).