5-phenyl-10-oxa-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one

C14H10N2O2S — CID 14448850

IUPAC5-phenyl-10-oxa-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one
SMILESO=c1c2cc(-c3ccccc3)sc2nc2n1CCO2
InChIInChI=1S/C14H10N2O2S/c17-13-10-8-11(9-4-2-1-3-5-9)19-12(10)15-14-16(13)6-7-18-14/h1-5,8H,6-7H2
InChIKeyDEROJEQWXBENAF-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.52
Rot. Bonds1

About 5-phenyl-10-oxa-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one

5-phenyl-10-oxa-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one (PubChem CID 14448850) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 5-phenyl-10-oxa-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one.

Molecular Properties

Compound Name5-phenyl-10-oxa-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one
PubChem CID14448850
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name5-phenyl-10-oxa-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one
SMILESO=c1c2cc(-c3ccccc3)sc2nc2n1CCO2
InChIInChI=1S/C14H10N2O2S/c17-13-10-8-11(9-4-2-1-3-5-9)19-12(10)15-14-16(13)6-7-18-14/h1-5,8H,6-7H2
InChIKeyDEROJEQWXBENAF-UHFFFAOYSA-N
XLogP2.52
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-phenyl-10-oxa-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-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

7-methyl-2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one
CID 118482542
3,4-dihydro-2H-[1,3]oxazino[2,3-b]quinazolin-6-one
CID 13381483
2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 23410476
2-methyl-6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one
CID 1228645
3-amino-2-methylsulfanyl-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 848952
12-methyl-5-phenyl-6,10-dithia-1,8,13-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,12-tetraen-2-one
CID 2816629
3-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 948701
14-phenyl-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,12(16),13-hexaene-8,11-dione
CID 15048211
3-(4-oxo-2,6-diphenylthieno[2,3-d]pyrimidin-3-yl)propanoic acid
CID 28899931
2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetonitrile
CID 23411280
(3aR,7aR)-1-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-7-one
CID 97328141
(2S)-4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide
CID 95101895

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-10-oxa-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one?
The IUPAC name of 5-phenyl-10-oxa-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one (CID 14448850) is 5-phenyl-10-oxa-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one.
What is the SMILES notation for 5-phenyl-10-oxa-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one?
The canonical SMILES for 5-phenyl-10-oxa-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one is O=c1c2cc(-c3ccccc3)sc2nc2n1CCO2.
What is the InChIKey of 5-phenyl-10-oxa-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one?
The InChIKey is DEROJEQWXBENAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c17-13-10-8-11(9-4-2-1-3-5-9)19-12(10)15-14-16(13)6-7-18-14/h1-5,8H,6-7H2.
What are the key properties of 5-phenyl-10-oxa-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one?
5-phenyl-10-oxa-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one has a molecular weight of 270.31 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-10-oxa-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one is sourced from PubChem (CID 14448850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).