spiro[2H-pyrano[3,2-b]chromene-10,4'-5H-1,3-oxazole]

C14H11NO3 — CID 123661459

IUPACspiro[2H-pyrano[3,2-b]chromene-10,4'-5H-1,3-oxazole]
SMILESC1=CC2=C(OC1)C1(COC=N1)c1ccccc1O2
InChIInChI=1S/C14H11NO3/c1-2-5-11-10(4-1)14(8-16-9-15-14)13-12(18-11)6-3-7-17-13/h1-6,9H,7-8H2
InChIKeyWPLGOAODTHNQHH-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.13
Rot. Bonds

About spiro[2H-pyrano[3,2-b]chromene-10,4'-5H-1,3-oxazole]

spiro[2H-pyrano[3,2-b]chromene-10,4'-5H-1,3-oxazole] (PubChem CID 123661459) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is spiro[2H-pyrano[3,2-b]chromene-10,4'-5H-1,3-oxazole].

Molecular Properties

Compound Namespiro[2H-pyrano[3,2-b]chromene-10,4'-5H-1,3-oxazole]
PubChem CID123661459
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Namespiro[2H-pyrano[3,2-b]chromene-10,4'-5H-1,3-oxazole]
SMILESC1=CC2=C(OC1)C1(COC=N1)c1ccccc1O2
InChIInChI=1S/C14H11NO3/c1-2-5-11-10(4-1)14(8-16-9-15-14)13-12(18-11)6-3-7-17-13/h1-6,9H,7-8H2
InChIKeyWPLGOAODTHNQHH-UHFFFAOYSA-N
XLogP2.13
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

spiro[5H-1,3-oxazole-4,9'-xanthene]-3'-ol
CID 123865823
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CID 68577084
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2H-chromene;nickel;phosphane
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CID 87399656
CID 87399656
CID 173043361
CID 173043361
CID 174785352
CID 174785352

Frequently Asked Questions

What is the IUPAC name of spiro[2H-pyrano[3,2-b]chromene-10,4'-5H-1,3-oxazole]?
The IUPAC name of spiro[2H-pyrano[3,2-b]chromene-10,4'-5H-1,3-oxazole] (CID 123661459) is spiro[2H-pyrano[3,2-b]chromene-10,4'-5H-1,3-oxazole].
What is the SMILES notation for spiro[2H-pyrano[3,2-b]chromene-10,4'-5H-1,3-oxazole]?
The canonical SMILES for spiro[2H-pyrano[3,2-b]chromene-10,4'-5H-1,3-oxazole] is C1=CC2=C(OC1)C1(COC=N1)c1ccccc1O2.
What is the InChIKey of spiro[2H-pyrano[3,2-b]chromene-10,4'-5H-1,3-oxazole]?
The InChIKey is WPLGOAODTHNQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-2-5-11-10(4-1)14(8-16-9-15-14)13-12(18-11)6-3-7-17-13/h1-6,9H,7-8H2.
What are the key properties of spiro[2H-pyrano[3,2-b]chromene-10,4'-5H-1,3-oxazole]?
spiro[2H-pyrano[3,2-b]chromene-10,4'-5H-1,3-oxazole] has a molecular weight of 241.25 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2H-pyrano[3,2-b]chromene-10,4'-5H-1,3-oxazole] is sourced from PubChem (CID 123661459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).