5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12-pentaen-2-one

C20H21NO2 — CID 19088530

IUPAC5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12-pentaen-2-one
SMILESCC1(C)COC(c2ccc3c(c2)C(=O)C2=C(C=CCC2)CC3)=N1
InChIInChI=1S/C20H21NO2/c1-20(2)12-23-19(21-20)15-10-9-14-8-7-13-5-3-4-6-16(13)18(22)17(14)11-15/h3,5,9-11H,4,6-8,12H2,1-2H3
InChIKeyKFNZBVQANIQIRV-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.02
Rot. Bonds1

About 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12-pentaen-2-one

5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12-pentaen-2-one (PubChem CID 19088530) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12-pentaen-2-one.

Molecular Properties

Compound Name5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12-pentaen-2-one
PubChem CID19088530
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12-pentaen-2-one
SMILESCC1(C)COC(c2ccc3c(c2)C(=O)C2=C(C=CCC2)CC3)=N1
InChIInChI=1S/C20H21NO2/c1-20(2)12-23-19(21-20)15-10-9-14-8-7-13-5-3-4-6-16(13)18(22)17(14)11-15/h3,5,9-11H,4,6-8,12H2,1-2H3
InChIKeyKFNZBVQANIQIRV-UHFFFAOYSA-N
XLogP4.02
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12-pentaen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12-pentaen-2-one?
The IUPAC name of 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12-pentaen-2-one (CID 19088530) is 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12-pentaen-2-one.
What is the SMILES notation for 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12-pentaen-2-one?
The canonical SMILES for 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12-pentaen-2-one is CC1(C)COC(c2ccc3c(c2)C(=O)C2=C(C=CCC2)CC3)=N1.
What is the InChIKey of 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12-pentaen-2-one?
The InChIKey is KFNZBVQANIQIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-20(2)12-23-19(21-20)15-10-9-14-8-7-13-5-3-4-6-16(13)18(22)17(14)11-15/h3,5,9-11H,4,6-8,12H2,1-2H3.
What are the key properties of 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12-pentaen-2-one?
5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12-pentaen-2-one has a molecular weight of 307.39 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12-pentaen-2-one is sourced from PubChem (CID 19088530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).