(2E)-3-ethyl-2-[(E)-3-(3-ethyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-2-yl)prop-2-enylidene]-[1,3]oxazolo[4,5-b]pyridine

C19H19N4O2+ — CID 23530100

IUPAC(2E)-3-ethyl-2-[(E)-3-(3-ethyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-2-yl)prop-2-enylidene]-[1,3]oxazolo[4,5-b]pyridine
SMILESCCN1/C(=C\C=C\c2oc3cccnc3[n+]2CC)Oc2cccnc21
InChIInChI=1S/C19H19N4O2/c1-3-22-16(24-14-8-6-12-20-18(14)22)10-5-11-17-23(4-2)19-15(25-17)9-7-13-21-19/h5-13H,3-4H2,1-2H3/q+1
InChIKeyRWCIRZQXQZDJGN-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.30
Rot. Bonds4

About (2E)-3-ethyl-2-[(E)-3-(3-ethyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-2-yl)prop-2-enylidene]-[1,3]oxazolo[4,5-b]pyridine

(2E)-3-ethyl-2-[(E)-3-(3-ethyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-2-yl)prop-2-enylidene]-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 23530100) has the molecular formula C19H19N4O2+ and a molecular weight of 335.39 g/mol. Its IUPAC name is (2E)-3-ethyl-2-[(E)-3-(3-ethyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-2-yl)prop-2-enylidene]-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name(2E)-3-ethyl-2-[(E)-3-(3-ethyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-2-yl)prop-2-enylidene]-[1,3]oxazolo[4,5-b]pyridine
PubChem CID23530100
Molecular FormulaC19H19N4O2+
Molecular Weight335.39 g/mol
Exact Mass335.15
IUPAC Name(2E)-3-ethyl-2-[(E)-3-(3-ethyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-2-yl)prop-2-enylidene]-[1,3]oxazolo[4,5-b]pyridine
SMILESCCN1/C(=C\C=C\c2oc3cccnc3[n+]2CC)Oc2cccnc21
InChIInChI=1S/C19H19N4O2/c1-3-22-16(24-14-8-6-12-20-18(14)22)10-5-11-17-23(4-2)19-15(25-17)9-7-13-21-19/h5-13H,3-4H2,1-2H3/q+1
InChIKeyRWCIRZQXQZDJGN-UHFFFAOYSA-N
XLogP3.30
TPSA55.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-3-ethyl-2-[(E)-3-(3-ethyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-2-yl)prop-2-enylidene]-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of (2E)-3-ethyl-2-[(E)-3-(3-ethyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-2-yl)prop-2-enylidene]-[1,3]oxazolo[4,5-b]pyridine (CID 23530100) is (2E)-3-ethyl-2-[(E)-3-(3-ethyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-2-yl)prop-2-enylidene]-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for (2E)-3-ethyl-2-[(E)-3-(3-ethyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-2-yl)prop-2-enylidene]-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for (2E)-3-ethyl-2-[(E)-3-(3-ethyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-2-yl)prop-2-enylidene]-[1,3]oxazolo[4,5-b]pyridine is CCN1/C(=C\C=C\c2oc3cccnc3[n+]2CC)Oc2cccnc21.
What is the InChIKey of (2E)-3-ethyl-2-[(E)-3-(3-ethyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-2-yl)prop-2-enylidene]-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is RWCIRZQXQZDJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N4O2/c1-3-22-16(24-14-8-6-12-20-18(14)22)10-5-11-17-23(4-2)19-15(25-17)9-7-13-21-19/h5-13H,3-4H2,1-2H3/q+1.
What are the key properties of (2E)-3-ethyl-2-[(E)-3-(3-ethyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-2-yl)prop-2-enylidene]-[1,3]oxazolo[4,5-b]pyridine?
(2E)-3-ethyl-2-[(E)-3-(3-ethyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-2-yl)prop-2-enylidene]-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 335.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-ethyl-2-[(E)-3-(3-ethyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-2-yl)prop-2-enylidene]-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 23530100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).