(2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-pyridin-2-ylmethanone

C15H12N2O2 — CID 67120361

IUPAC(2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1coc(C2=CCCC=C2)n1
InChIInChI=1S/C15H12N2O2/c18-14(12-8-4-5-9-16-12)13-10-19-15(17-13)11-6-2-1-3-7-11/h2,4-10H,1,3H2
InChIKeyLQGFVBBJXVFSHK-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.03
Rot. Bonds3

About (2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-pyridin-2-ylmethanone

(2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-pyridin-2-ylmethanone (PubChem CID 67120361) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is (2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-pyridin-2-ylmethanone
PubChem CID67120361
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name(2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1coc(C2=CCCC=C2)n1
InChIInChI=1S/C15H12N2O2/c18-14(12-8-4-5-9-16-12)13-10-19-15(17-13)11-6-2-1-3-7-11/h2,4-10H,1,3H2
InChIKeyLQGFVBBJXVFSHK-UHFFFAOYSA-N
XLogP3.03
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-pyridin-2-ylmethanone?
The IUPAC name of (2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-pyridin-2-ylmethanone (CID 67120361) is (2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-pyridin-2-ylmethanone.
What is the SMILES notation for (2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-pyridin-2-ylmethanone?
The canonical SMILES for (2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-pyridin-2-ylmethanone is O=C(c1ccccn1)c1coc(C2=CCCC=C2)n1.
What is the InChIKey of (2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-pyridin-2-ylmethanone?
The InChIKey is LQGFVBBJXVFSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-14(12-8-4-5-9-16-12)13-10-19-15(17-13)11-6-2-1-3-7-11/h2,4-10H,1,3H2.
What are the key properties of (2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-pyridin-2-ylmethanone?
(2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-pyridin-2-ylmethanone has a molecular weight of 252.27 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-pyridin-2-ylmethanone is sourced from PubChem (CID 67120361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).