5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaen-2-one

C14H13NO2 — CID 22003613

IUPAC5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaen-2-one
SMILESCc1ccc2c(c1)CCc1nc(C)oc1C2=O
InChIInChI=1S/C14H13NO2/c1-8-3-5-11-10(7-8)4-6-12-14(13(11)16)17-9(2)15-12/h3,5,7H,4,6H2,1-2H3
InChIKeyAUOGUDWNRZFQPT-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.62
Rot. Bonds

About 5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaen-2-one

5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaen-2-one (PubChem CID 22003613) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaen-2-one.

Molecular Properties

Compound Name5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaen-2-one
PubChem CID22003613
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaen-2-one
SMILESCc1ccc2c(c1)CCc1nc(C)oc1C2=O
InChIInChI=1S/C14H13NO2/c1-8-3-5-11-10(7-8)4-6-12-14(13(11)16)17-9(2)15-12/h3,5,7H,4,6H2,1-2H3
InChIKeyAUOGUDWNRZFQPT-UHFFFAOYSA-N
XLogP2.62
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaen-2-one with MolForge

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Related Compounds

2-(Trifluoromethyl)-4-tert-butyl-5-(phenylacetyl)oxazole
CID 45254726
2-Methyl-9,10-dihydro-benzo[5,6]cyclohepta[1,2-d]oxazol-4-one
CID 12200374
2-Methyl-4H-benzo[5,6]cyclohepta[1,2-d]oxazol-4-one
CID 22003576
[4-Methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-phenylmethanone
CID 56930141
(4-Fluorophenyl)(4-methyl-2-(trifluoromethyl)oxazol-5-yl)methanone
CID 56930142
4-Methyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,8,10,12-hexaen-7-one
CID 12200393
5-Methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaene
CID 12200397
(2,4-Dimethyl-1,3-oxazol-5-yl)-phenylmethanone
CID 24975073
(2-Methyl-4-phenyl-1,3-oxazol-5-yl)-phenylmethanone
CID 122202756
1-(2-Methyl-4-phenyl-1,3-oxazol-5-yl)ethanone
CID 125478569
1-(2-Acetyl-4-phenyl-1,3-oxazol-5-yl)ethanone
CID 134996721
(4-Hexyl-2-methyl-1,3-oxazol-5-yl)-phenylmethanone
CID 177408547

Frequently Asked Questions

What is the IUPAC name of 5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaen-2-one?
The IUPAC name of 5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaen-2-one (CID 22003613) is 5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaen-2-one.
What is the SMILES notation for 5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaen-2-one?
The canonical SMILES for 5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaen-2-one is Cc1ccc2c(c1)CCc1nc(C)oc1C2=O.
What is the InChIKey of 5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaen-2-one?
The InChIKey is AUOGUDWNRZFQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-8-3-5-11-10(7-8)4-6-12-14(13(11)16)17-9(2)15-12/h3,5,7H,4,6H2,1-2H3.
What are the key properties of 5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaen-2-one?
5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaen-2-one has a molecular weight of 227.26 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaen-2-one is sourced from PubChem (CID 22003613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).