(4E)-4-(morpholin-4-ylmethylidene)-2-phenyl-1,3-oxazol-5-one

C14H14N2O3 — CID 11118732

IUPAC(4E)-4-(morpholin-4-ylmethylidene)-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N/C1=C/N1CCOCC1
InChIInChI=1S/C14H14N2O3/c17-14-12(10-16-6-8-18-9-7-16)15-13(19-14)11-4-2-1-3-5-11/h1-5,10H,6-9H2/b12-10+
InChIKeyGODPDKHLWROZLL-ZRDIBKRKSA-N
MW258.28 g/mol
LogP1.16
Rot. Bonds2

About (4E)-4-(morpholin-4-ylmethylidene)-2-phenyl-1,3-oxazol-5-one

(4E)-4-(morpholin-4-ylmethylidene)-2-phenyl-1,3-oxazol-5-one (PubChem CID 11118732) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is (4E)-4-(morpholin-4-ylmethylidene)-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-(morpholin-4-ylmethylidene)-2-phenyl-1,3-oxazol-5-one
PubChem CID11118732
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name(4E)-4-(morpholin-4-ylmethylidene)-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N/C1=C/N1CCOCC1
InChIInChI=1S/C14H14N2O3/c17-14-12(10-16-6-8-18-9-7-16)15-13(19-14)11-4-2-1-3-5-11/h1-5,10H,6-9H2/b12-10+
InChIKeyGODPDKHLWROZLL-ZRDIBKRKSA-N
XLogP1.16
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.16
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

4-(morpholin-4-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one
CID 4201220
(4Z)-4-(chloromethylidene)-2-phenyl-1,3-oxazol-5-one
CID 5369649
(4E)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 5292750
4-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-phenyl-1,3-oxazol-5-one
CID 3429426
(4Z)-4-[(4-methylimidazol-1-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 13234659
(4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one
CID 690059
(4Z)-4-(2-methylpropylidene)-2-phenyl-1,3-oxazol-5-one
CID 5369550
(4E)-2-(4-hydroxyphenyl)-4-[[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]methylidene]-1,3-oxazol-5-one
CID 136846535
(4Z)-4-(3-methylbut-2-enylidene)-2-phenyl-1,3-oxazol-5-one
CID 42603547
(4E)-4-[[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 2316551
4-[[2-(4-fluoronaphthalen-1-yl)-5-oxo-1,3-oxazol-4-ylidene]methyl]piperazine-1-carboxylic acid
CID 70256445
(4E)-4-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenyl-1,3-oxazol-5-one
CID 58657938

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(morpholin-4-ylmethylidene)-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4E)-4-(morpholin-4-ylmethylidene)-2-phenyl-1,3-oxazol-5-one (CID 11118732) is (4E)-4-(morpholin-4-ylmethylidene)-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-4-(morpholin-4-ylmethylidene)-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4E)-4-(morpholin-4-ylmethylidene)-2-phenyl-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=N/C1=C/N1CCOCC1.
What is the InChIKey of (4E)-4-(morpholin-4-ylmethylidene)-2-phenyl-1,3-oxazol-5-one?
The InChIKey is GODPDKHLWROZLL-ZRDIBKRKSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-14-12(10-16-6-8-18-9-7-16)15-13(19-14)11-4-2-1-3-5-11/h1-5,10H,6-9H2/b12-10+.
What are the key properties of (4E)-4-(morpholin-4-ylmethylidene)-2-phenyl-1,3-oxazol-5-one?
(4E)-4-(morpholin-4-ylmethylidene)-2-phenyl-1,3-oxazol-5-one has a molecular weight of 258.28 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(morpholin-4-ylmethylidene)-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 11118732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).