(4E)-4-(furan-2-ylmethylidene)-2-pyridin-4-yl-1,3-oxazol-5-one

C13H8N2O3 — CID 108935786

IUPAC(4E)-4-(furan-2-ylmethylidene)-2-pyridin-4-yl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccncc2)=N/C1=C/c1ccco1
InChIInChI=1S/C13H8N2O3/c16-13-11(8-10-2-1-7-17-10)15-12(18-13)9-3-5-14-6-4-9/h1-8H/b11-8+
InChIKeyZXEADBAYFVWMJO-DHZHZOJOSA-N
MW240.22 g/mol
LogP2.02
Rot. Bonds2

About (4E)-4-(furan-2-ylmethylidene)-2-pyridin-4-yl-1,3-oxazol-5-one

(4E)-4-(furan-2-ylmethylidene)-2-pyridin-4-yl-1,3-oxazol-5-one (PubChem CID 108935786) has the molecular formula C13H8N2O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is (4E)-4-(furan-2-ylmethylidene)-2-pyridin-4-yl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-(furan-2-ylmethylidene)-2-pyridin-4-yl-1,3-oxazol-5-one
PubChem CID108935786
Molecular FormulaC13H8N2O3
Molecular Weight240.22 g/mol
Exact Mass240.05
IUPAC Name(4E)-4-(furan-2-ylmethylidene)-2-pyridin-4-yl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccncc2)=N/C1=C/c1ccco1
InChIInChI=1S/C13H8N2O3/c16-13-11(8-10-2-1-7-17-10)15-12(18-13)9-3-5-14-6-4-9/h1-8H/b11-8+
InChIKeyZXEADBAYFVWMJO-DHZHZOJOSA-N
XLogP2.02
TPSA64.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4E)-2-(2,6-dimethoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 108935787
(4Z)-2-(4-chloro-2-pyridinyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 9052520
4-[(4-bromophenyl)methylidene]-2-pyridin-4-yl-1,3-oxazol-5-one
CID 5146660
(4E)-2-pyridin-4-yl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 108936738
(4E)-2-(2-chloro-5-iodophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 1126451
(4Z)-2-[2-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 17479270
2-(2-bromo-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 4298014
(4E)-2-(5-chloro-2-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 6520824
(4Z)-2-(2-bromo-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 6061769
(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-pyridin-4-yl-1,3-oxazol-5-one
CID 18527679
(4Z)-2-(2-chloro-4-nitrophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 6520150
4-[3-(furan-2-yl)prop-2-enylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
CID 4078415

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(furan-2-ylmethylidene)-2-pyridin-4-yl-1,3-oxazol-5-one?
The IUPAC name of (4E)-4-(furan-2-ylmethylidene)-2-pyridin-4-yl-1,3-oxazol-5-one (CID 108935786) is (4E)-4-(furan-2-ylmethylidene)-2-pyridin-4-yl-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-4-(furan-2-ylmethylidene)-2-pyridin-4-yl-1,3-oxazol-5-one?
The canonical SMILES for (4E)-4-(furan-2-ylmethylidene)-2-pyridin-4-yl-1,3-oxazol-5-one is O=C1OC(c2ccncc2)=N/C1=C/c1ccco1.
What is the InChIKey of (4E)-4-(furan-2-ylmethylidene)-2-pyridin-4-yl-1,3-oxazol-5-one?
The InChIKey is ZXEADBAYFVWMJO-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H8N2O3/c16-13-11(8-10-2-1-7-17-10)15-12(18-13)9-3-5-14-6-4-9/h1-8H/b11-8+.
What are the key properties of (4E)-4-(furan-2-ylmethylidene)-2-pyridin-4-yl-1,3-oxazol-5-one?
(4E)-4-(furan-2-ylmethylidene)-2-pyridin-4-yl-1,3-oxazol-5-one has a molecular weight of 240.22 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(furan-2-ylmethylidene)-2-pyridin-4-yl-1,3-oxazol-5-one is sourced from PubChem (CID 108935786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).