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

C20H18N4O2 — CID 86299178

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one
SMILESCc1noc(C)c1-c1ccc2[nH]c(=O)n3c2c1CCC3c1ccccn1
InChIInChI=1S/C20H18N4O2/c1-11-18(12(2)26-23-11)13-6-8-16-19-14(13)7-9-17(24(19)20(25)22-16)15-5-3-4-10-21-15/h3-6,8,10,17H,7,9H2,1-2H3,(H,22,25)
InChIKeyOQOIRRQNAUEMIT-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.53
Rot. Bonds2

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-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-pyridin-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one (PubChem CID 86299178) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-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-pyridin-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one
PubChem CID86299178
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one
SMILESCc1noc(C)c1-c1ccc2[nH]c(=O)n3c2c1CCC3c1ccccn1
InChIInChI=1S/C20H18N4O2/c1-11-18(12(2)26-23-11)13-6-8-16-19-14(13)7-9-17(24(19)20(25)22-16)15-5-3-4-10-21-15/h3-6,8,10,17H,7,9H2,1-2H3,(H,22,25)
InChIKeyOQOIRRQNAUEMIT-UHFFFAOYSA-N
XLogP3.53
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

Incb054329
CID 90410660
6-(3,5-dimethylisoxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 86296389
4-((2,6-difluorophenyl)(hydroxy)(pyrazin-2-yl)methyl)-6-(3,5-dimethylisoxazol-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 86296774
US9624241, Example 19
CID 86298853
US9624241, Example 265A
CID 90409056
US9624241, Example 125
CID 90409156
US9624241, Example 78
CID 90410046
4-(2-methoxy-4-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-6-yl)-3,5-dimethylisoxazole
CID 117689440
US10464947, Example 265A
CID 154584693
US10464947, Example 265B
CID 154584698
1-(3-Methyl-benzo[d]isoxazol-6-yl)-3-(4-methyl-pyridin-3-yl)-imidazolidin-2-one
CID 59636184
INCB054329 Racemate
CID 86298851

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-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-pyridin-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one (CID 86299178) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-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-pyridin-2-yl-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-pyridin-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one is Cc1noc(C)c1-c1ccc2[nH]c(=O)n3c2c1CCC3c1ccccn1.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one?
The InChIKey is OQOIRRQNAUEMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-11-18(12(2)26-23-11)13-6-8-16-19-14(13)7-9-17(24(19)20(25)22-16)15-5-3-4-10-21-15/h3-6,8,10,17H,7,9H2,1-2H3,(H,22,25).
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-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-pyridin-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one has a molecular weight of 346.39 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one is sourced from PubChem (CID 86299178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).