(4Z)-2-(3-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one

C15H9ClN2O2 — CID 6187657

IUPAC(4Z)-2-(3-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
SMILESO=C1OC(c2cccc(Cl)c2)=N/C1=C\c1cccnc1
InChIInChI=1S/C15H9ClN2O2/c16-12-5-1-4-11(8-12)14-18-13(15(19)20-14)7-10-3-2-6-17-9-10/h1-9H/b13-7-
InChIKeyJECOGJJTAAXRQA-QPEQYQDCSA-N
MW284.70 g/mol
LogP3.08
Rot. Bonds2

About (4Z)-2-(3-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one

(4Z)-2-(3-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one (PubChem CID 6187657) has the molecular formula C15H9ClN2O2 and a molecular weight of 284.70 g/mol. Its IUPAC name is (4Z)-2-(3-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(3-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
PubChem CID6187657
Molecular FormulaC15H9ClN2O2
Molecular Weight284.70 g/mol
Exact Mass284.04
IUPAC Name(4Z)-2-(3-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
SMILESO=C1OC(c2cccc(Cl)c2)=N/C1=C\c1cccnc1
InChIInChI=1S/C15H9ClN2O2/c16-12-5-1-4-11(8-12)14-18-13(15(19)20-14)7-10-3-2-6-17-9-10/h1-9H/b13-7-
InChIKeyJECOGJJTAAXRQA-QPEQYQDCSA-N
XLogP3.08
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 53.08
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

Carbinoxamine Maleate
CID 5282409
Carbinoxamine fumarate
CID 6506779
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-Chloro-4-fluorobenzyl picolinate
CID 2214206
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
(4Z)-2-(4-chloro-3-nitrophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
CID 6516567
(3Z)-5-(4-chlorophenyl)-3-(pyridin-3-ylmethylene)furan-2(3H)-one
CID 2230845
(S)-carbinoxamine maleate
CID 23723101
4-(4-(Dimethylamino)benzylidene)-2-(pyridin-3-yl)oxazol-5(4H)-one (IIIe)
CID 35594376
4-(4-Chlorobenzylidene)-2-(pyridin-3-yl)oxazol-5(4H)-one (IIIb)
CID 108936379

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(3-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(3-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one (CID 6187657) is (4Z)-2-(3-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(3-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(3-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one is O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1cccnc1.
What is the InChIKey of (4Z)-2-(3-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one?
The InChIKey is JECOGJJTAAXRQA-QPEQYQDCSA-N. The full InChI is InChI=1S/C15H9ClN2O2/c16-12-5-1-4-11(8-12)14-18-13(15(19)20-14)7-10-3-2-6-17-9-10/h1-9H/b13-7-.
What are the key properties of (4Z)-2-(3-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one?
(4Z)-2-(3-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one has a molecular weight of 284.70 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(3-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one is sourced from PubChem (CID 6187657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).