(13Z)-3,3-difluoro-5-methyl-13-[(1,2-oxazol-3-ylamino)methylidene]-12-oxa-5,10-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),7-triene-4,11-dione

C17H14F2N4O4 — CID 163825100

IUPAC(13Z)-3,3-difluoro-5-methyl-13-[(1,2-oxazol-3-ylamino)methylidene]-12-oxa-5,10-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),7-triene-4,11-dione
SMILESCN1C(=O)C(F)(F)c2c1ccc1c2CC/C(=C/Nc2ccon2)OC(=O)N1
InChIInChI=1S/C17H14F2N4O4/c1-23-12-5-4-11-10(14(12)17(18,19)15(23)24)3-2-9(27-16(25)21-11)8-20-13-6-7-26-22-13/h4-8H,2-3H2,1H3,(H,20,22)(H,21,25)/b9-8-
InChIKeyNYUIYNMQVCHEKG-HJWRWDBZSA-N
MW376.32 g/mol
LogP3.19
Rot. Bonds2

About (13Z)-3,3-difluoro-5-methyl-13-[(1,2-oxazol-3-ylamino)methylidene]-12-oxa-5,10-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),7-triene-4,11-dione

(13Z)-3,3-difluoro-5-methyl-13-[(1,2-oxazol-3-ylamino)methylidene]-12-oxa-5,10-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),7-triene-4,11-dione (PubChem CID 163825100) has the molecular formula C17H14F2N4O4 and a molecular weight of 376.32 g/mol. Its IUPAC name is (13Z)-3,3-difluoro-5-methyl-13-[(1,2-oxazol-3-ylamino)methylidene]-12-oxa-5,10-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),7-triene-4,11-dione.

Molecular Properties

Compound Name(13Z)-3,3-difluoro-5-methyl-13-[(1,2-oxazol-3-ylamino)methylidene]-12-oxa-5,10-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),7-triene-4,11-dione
PubChem CID163825100
Molecular FormulaC17H14F2N4O4
Molecular Weight376.32 g/mol
Exact Mass376.10
IUPAC Name(13Z)-3,3-difluoro-5-methyl-13-[(1,2-oxazol-3-ylamino)methylidene]-12-oxa-5,10-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),7-triene-4,11-dione
SMILESCN1C(=O)C(F)(F)c2c1ccc1c2CC/C(=C/Nc2ccon2)OC(=O)N1
InChIInChI=1S/C17H14F2N4O4/c1-23-12-5-4-11-10(14(12)17(18,19)15(23)24)3-2-9(27-16(25)21-11)8-20-13-6-7-26-22-13/h4-8H,2-3H2,1H3,(H,20,22)(H,21,25)/b9-8-
InChIKeyNYUIYNMQVCHEKG-HJWRWDBZSA-N
XLogP3.19
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (13Z)-3,3-difluoro-5-methyl-13-[(1,2-oxazol-3-ylamino)methylidene]-12-oxa-5,10-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),7-triene-4,11-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (13Z)-3,3-difluoro-5-methyl-13-[(1,2-oxazol-3-ylamino)methylidene]-12-oxa-5,10-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),7-triene-4,11-dione?
The IUPAC name of (13Z)-3,3-difluoro-5-methyl-13-[(1,2-oxazol-3-ylamino)methylidene]-12-oxa-5,10-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),7-triene-4,11-dione (CID 163825100) is (13Z)-3,3-difluoro-5-methyl-13-[(1,2-oxazol-3-ylamino)methylidene]-12-oxa-5,10-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),7-triene-4,11-dione.
What is the SMILES notation for (13Z)-3,3-difluoro-5-methyl-13-[(1,2-oxazol-3-ylamino)methylidene]-12-oxa-5,10-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),7-triene-4,11-dione?
The canonical SMILES for (13Z)-3,3-difluoro-5-methyl-13-[(1,2-oxazol-3-ylamino)methylidene]-12-oxa-5,10-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),7-triene-4,11-dione is CN1C(=O)C(F)(F)c2c1ccc1c2CC/C(=C/Nc2ccon2)OC(=O)N1.
What is the InChIKey of (13Z)-3,3-difluoro-5-methyl-13-[(1,2-oxazol-3-ylamino)methylidene]-12-oxa-5,10-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),7-triene-4,11-dione?
The InChIKey is NYUIYNMQVCHEKG-HJWRWDBZSA-N. The full InChI is InChI=1S/C17H14F2N4O4/c1-23-12-5-4-11-10(14(12)17(18,19)15(23)24)3-2-9(27-16(25)21-11)8-20-13-6-7-26-22-13/h4-8H,2-3H2,1H3,(H,20,22)(H,21,25)/b9-8-.
What are the key properties of (13Z)-3,3-difluoro-5-methyl-13-[(1,2-oxazol-3-ylamino)methylidene]-12-oxa-5,10-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),7-triene-4,11-dione?
(13Z)-3,3-difluoro-5-methyl-13-[(1,2-oxazol-3-ylamino)methylidene]-12-oxa-5,10-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),7-triene-4,11-dione has a molecular weight of 376.32 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (13Z)-3,3-difluoro-5-methyl-13-[(1,2-oxazol-3-ylamino)methylidene]-12-oxa-5,10-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),7-triene-4,11-dione is sourced from PubChem (CID 163825100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).