(10bR)-10b-phenyl-1H-[1,3]oxazolo[3,4-c][1,3]benzoxazine-3,5-dione

C16H11NO4 — CID 138979221

IUPAC(10bR)-10b-phenyl-1H-[1,3]oxazolo[3,4-c][1,3]benzoxazine-3,5-dione
SMILESO=C1OC[C@@]2(c3ccccc3)c3ccccc3OC(=O)N12
InChIInChI=1S/C16H11NO4/c18-14-17-15(19)21-13-9-5-4-8-12(13)16(17,10-20-14)11-6-2-1-3-7-11/h1-9H,10H2/t16-/m1/s1
InChIKeyZCDIPOYOVGOIJO-MRXNPFEDSA-N
MW281.27 g/mol
LogP2.89
Rot. Bonds1

About (10bR)-10b-phenyl-1H-[1,3]oxazolo[3,4-c][1,3]benzoxazine-3,5-dione

(10bR)-10b-phenyl-1H-[1,3]oxazolo[3,4-c][1,3]benzoxazine-3,5-dione (PubChem CID 138979221) has the molecular formula C16H11NO4 and a molecular weight of 281.27 g/mol. Its IUPAC name is (10bR)-10b-phenyl-1H-[1,3]oxazolo[3,4-c][1,3]benzoxazine-3,5-dione.

Molecular Properties

Compound Name(10bR)-10b-phenyl-1H-[1,3]oxazolo[3,4-c][1,3]benzoxazine-3,5-dione
PubChem CID138979221
Molecular FormulaC16H11NO4
Molecular Weight281.27 g/mol
Exact Mass281.07
IUPAC Name(10bR)-10b-phenyl-1H-[1,3]oxazolo[3,4-c][1,3]benzoxazine-3,5-dione
SMILESO=C1OC[C@@]2(c3ccccc3)c3ccccc3OC(=O)N12
InChIInChI=1S/C16H11NO4/c18-14-17-15(19)21-13-9-5-4-8-12(13)16(17,10-20-14)11-6-2-1-3-7-11/h1-9H,10H2/t16-/m1/s1
InChIKeyZCDIPOYOVGOIJO-MRXNPFEDSA-N
XLogP2.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (10bR)-10b-phenyl-1H-[1,3]oxazolo[3,4-c][1,3]benzoxazine-3,5-dione?
The IUPAC name of (10bR)-10b-phenyl-1H-[1,3]oxazolo[3,4-c][1,3]benzoxazine-3,5-dione (CID 138979221) is (10bR)-10b-phenyl-1H-[1,3]oxazolo[3,4-c][1,3]benzoxazine-3,5-dione.
What is the SMILES notation for (10bR)-10b-phenyl-1H-[1,3]oxazolo[3,4-c][1,3]benzoxazine-3,5-dione?
The canonical SMILES for (10bR)-10b-phenyl-1H-[1,3]oxazolo[3,4-c][1,3]benzoxazine-3,5-dione is O=C1OC[C@@]2(c3ccccc3)c3ccccc3OC(=O)N12.
What is the InChIKey of (10bR)-10b-phenyl-1H-[1,3]oxazolo[3,4-c][1,3]benzoxazine-3,5-dione?
The InChIKey is ZCDIPOYOVGOIJO-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H11NO4/c18-14-17-15(19)21-13-9-5-4-8-12(13)16(17,10-20-14)11-6-2-1-3-7-11/h1-9H,10H2/t16-/m1/s1.
What are the key properties of (10bR)-10b-phenyl-1H-[1,3]oxazolo[3,4-c][1,3]benzoxazine-3,5-dione?
(10bR)-10b-phenyl-1H-[1,3]oxazolo[3,4-c][1,3]benzoxazine-3,5-dione has a molecular weight of 281.27 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10bR)-10b-phenyl-1H-[1,3]oxazolo[3,4-c][1,3]benzoxazine-3,5-dione is sourced from PubChem (CID 138979221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).