1-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-2-en-1-one

C11H8N2O2 — CID 66775639

IUPAC1-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-2-en-1-one
SMILESC=CC(=O)c1ncc(-c2ccccn2)o1
InChIInChI=1S/C11H8N2O2/c1-2-9(14)11-13-7-10(15-11)8-5-3-4-6-12-8/h2-7H,1H2
InChIKeyRLRWPRZGRQTJOO-UHFFFAOYSA-N
MW200.20 g/mol
LogP2.11
Rot. Bonds3

About 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-2-en-1-one

1-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-2-en-1-one (PubChem CID 66775639) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-2-en-1-one
PubChem CID66775639
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name1-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-2-en-1-one
SMILESC=CC(=O)c1ncc(-c2ccccn2)o1
InChIInChI=1S/C11H8N2O2/c1-2-9(14)11-13-7-10(15-11)8-5-3-4-6-12-8/h2-7H,1H2
InChIKeyRLRWPRZGRQTJOO-UHFFFAOYSA-N
XLogP2.11
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1H-inden-2-yl-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
CID 52951687
1-(5-pyridin-2-yl-1,3-oxazol-2-yl)nonan-1-one
CID 11426192
2,5-dipyridin-2-yl-1,3-oxazole
CID 67299050
2-bromo-5-pyridin-2-yl-1,3-oxazole
CID 83382777
7-(2-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one
CID 16735381
2-(5-pyridin-2-ylfuran-2-yl)pyridine
CID 21113617
1-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7-[2-(trifluoromethyl)phenyl]heptan-1-one
CID 16736219
carbon dioxide;(5-phenyl-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
CID 158701287
[(2S)-6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
CID 52952694
(5-phenoxy-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
CID 54583373
2-chloro-2-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanol
CID 67532555
(E)-but-2-enedioic acid;2-pyridin-2-ylpyridine
CID 139063802

Frequently Asked Questions

What is the IUPAC name of 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-2-en-1-one?
The IUPAC name of 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-2-en-1-one (CID 66775639) is 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-2-en-1-one?
The canonical SMILES for 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-2-en-1-one is C=CC(=O)c1ncc(-c2ccccn2)o1.
What is the InChIKey of 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-2-en-1-one?
The InChIKey is RLRWPRZGRQTJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c1-2-9(14)11-13-7-10(15-11)8-5-3-4-6-12-8/h2-7H,1H2.
What are the key properties of 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-2-en-1-one?
1-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-2-en-1-one has a molecular weight of 200.20 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-2-en-1-one is sourced from PubChem (CID 66775639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).