(4Z)-4-benzylidene-2-pyridin-3-yl-1,3-oxazol-5-one

C15H10N2O2 — CID 122711717

IUPAC(4Z)-4-benzylidene-2-pyridin-3-yl-1,3-oxazol-5-one
SMILESO=C1OC(c2cccnc2)=N/C1=C\c1ccccc1
InChIInChI=1S/C15H10N2O2/c18-15-13(9-11-5-2-1-3-6-11)17-14(19-15)12-7-4-8-16-10-12/h1-10H/b13-9-
InChIKeyXGRBJYKRKLNGPY-LCYFTJDESA-N
MW250.26 g/mol
LogP2.43
Rot. Bonds2

About (4Z)-4-benzylidene-2-pyridin-3-yl-1,3-oxazol-5-one

(4Z)-4-benzylidene-2-pyridin-3-yl-1,3-oxazol-5-one (PubChem CID 122711717) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is (4Z)-4-benzylidene-2-pyridin-3-yl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-benzylidene-2-pyridin-3-yl-1,3-oxazol-5-one
PubChem CID122711717
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name(4Z)-4-benzylidene-2-pyridin-3-yl-1,3-oxazol-5-one
SMILESO=C1OC(c2cccnc2)=N/C1=C\c1ccccc1
InChIInChI=1S/C15H10N2O2/c18-15-13(9-11-5-2-1-3-6-11)17-14(19-15)12-7-4-8-16-10-12/h1-10H/b13-9-
InChIKeyXGRBJYKRKLNGPY-LCYFTJDESA-N
XLogP2.43
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.43
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

Benzyl Nicotinate
CID 7191
2-Pyridin-3-yl-benzo(d)(1,3)oxazin-4-one
CID 722912
Nicotinic anhydride
CID 85607
(Pyridin-3-yl)methyl acetate
CID 295656
Anibine
CID 249887
DAPK inhibitor 13
CID 56694877
2-phenyl-4-(pyridin-3-ylmethylene)oxazol-5(4H)-one
CID 1551558
2-(2-chloro-5-iodophenyl)-4-(pyridin-4-ylmethylene)oxazol-5(4H)-one
CID 1733425
2-(2-Phenylethenyl)-4-(pyridin-3-ylmethylidene)-4,5-dihydro-1,3-oxazol-5-one
CID 2360773
4-Pyridin-3-ylmethylene-2-m-tolyl-4H-oxazol-5-one
CID 5285453
2-(4-bromo-3-methylphenyl)-4-(pyridin-3-ylmethylene)oxazol-5(4H)-one
CID 5796642
3-(4,5-Dihydro-4,4-dimethyl-1,3-oxazol-2-yl)-4-methylpyridine
CID 2796523

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-benzylidene-2-pyridin-3-yl-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-benzylidene-2-pyridin-3-yl-1,3-oxazol-5-one (CID 122711717) is (4Z)-4-benzylidene-2-pyridin-3-yl-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-benzylidene-2-pyridin-3-yl-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-benzylidene-2-pyridin-3-yl-1,3-oxazol-5-one is O=C1OC(c2cccnc2)=N/C1=C\c1ccccc1.
What is the InChIKey of (4Z)-4-benzylidene-2-pyridin-3-yl-1,3-oxazol-5-one?
The InChIKey is XGRBJYKRKLNGPY-LCYFTJDESA-N. The full InChI is InChI=1S/C15H10N2O2/c18-15-13(9-11-5-2-1-3-6-11)17-14(19-15)12-7-4-8-16-10-12/h1-10H/b13-9-.
What are the key properties of (4Z)-4-benzylidene-2-pyridin-3-yl-1,3-oxazol-5-one?
(4Z)-4-benzylidene-2-pyridin-3-yl-1,3-oxazol-5-one has a molecular weight of 250.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-benzylidene-2-pyridin-3-yl-1,3-oxazol-5-one is sourced from PubChem (CID 122711717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).