4-[(5Z)-5-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)penta-1,3-dienyl]-3-phenyl-1,2-oxazol-5-olate

C23H15N2O4- — CID 59905308

IUPAC4-[(5Z)-5-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)penta-1,3-dienyl]-3-phenyl-1,2-oxazol-5-olate
SMILESO=C1ON=C(c2ccccc2)/C1=C/C=CC=Cc1c(-c2ccccc2)noc1[O-]
InChIInChI=1S/C23H16N2O4/c26-22-18(20(24-28-22)16-10-4-1-5-11-16)14-8-3-9-15-19-21(25-29-23(19)27)17-12-6-2-7-13-17/h1-15,26H/p-1/b9-3?,14-8?,19-15-
InChIKeyNEDZCQDBZLHEGJ-YZSQLPPASA-M
MW383.38 g/mol
LogP3.87
Rot. Bonds5

About 4-[(5Z)-5-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)penta-1,3-dienyl]-3-phenyl-1,2-oxazol-5-olate

4-[(5Z)-5-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)penta-1,3-dienyl]-3-phenyl-1,2-oxazol-5-olate (PubChem CID 59905308) has the molecular formula C23H15N2O4- and a molecular weight of 383.38 g/mol. Its IUPAC name is 4-[(5Z)-5-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)penta-1,3-dienyl]-3-phenyl-1,2-oxazol-5-olate.

Molecular Properties

Compound Name4-[(5Z)-5-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)penta-1,3-dienyl]-3-phenyl-1,2-oxazol-5-olate
PubChem CID59905308
Molecular FormulaC23H15N2O4-
Molecular Weight383.38 g/mol
Exact Mass383.10
IUPAC Name4-[(5Z)-5-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)penta-1,3-dienyl]-3-phenyl-1,2-oxazol-5-olate
SMILESO=C1ON=C(c2ccccc2)/C1=C/C=CC=Cc1c(-c2ccccc2)noc1[O-]
InChIInChI=1S/C23H16N2O4/c26-22-18(20(24-28-22)16-10-4-1-5-11-16)14-8-3-9-15-19-21(25-29-23(19)27)17-12-6-2-7-13-17/h1-15,26H/p-1/b9-3?,14-8?,19-15-
InChIKeyNEDZCQDBZLHEGJ-YZSQLPPASA-M
XLogP3.87
TPSA87.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-[(1E,3E,5Z)-5-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)penta-1,3-dienyl]-3-phenyl-1,2-oxazol-5-olate;2,4,4,6,6-pentamethylheptan-2-ylazanium
CID 157133331
4-[4-(1-methyl-4-pyridinylidene)but-2-enylidene]-3-phenyl-1,2-oxazol-5-one
CID 76662158
3-(4-chlorophenyl)-4-cinnamylidene-1,2-oxazol-5-one
CID 685391
4-[3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylidene]-3-phenyl-1,2-oxazol-5-one
CID 59886123
(4E)-3-phenyl-4-propylidene-1,2-oxazol-5-one
CID 88977221
4-benzylidene-3-(4-phenylphenyl)-1,2-oxazol-5-one
CID 4268049
4-[(2,6-dichlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 2726243
3-phenyl-4-(phenylsulfanylmethylidene)-1,2-oxazol-5-one
CID 71391559
(E)-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)prop-2-enal
CID 22058240
(4Z)-3-phenyl-4-[(2,4,6-trimethylphenyl)methylidene]-1,2-oxazol-5-one
CID 13199479
4-[(2-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 171131683
3-phenyl-4-(propylsulfanylmethylidene)-1,2-oxazol-5-one
CID 71391563

Frequently Asked Questions

What is the IUPAC name of 4-[(5Z)-5-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)penta-1,3-dienyl]-3-phenyl-1,2-oxazol-5-olate?
The IUPAC name of 4-[(5Z)-5-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)penta-1,3-dienyl]-3-phenyl-1,2-oxazol-5-olate (CID 59905308) is 4-[(5Z)-5-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)penta-1,3-dienyl]-3-phenyl-1,2-oxazol-5-olate.
What is the SMILES notation for 4-[(5Z)-5-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)penta-1,3-dienyl]-3-phenyl-1,2-oxazol-5-olate?
The canonical SMILES for 4-[(5Z)-5-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)penta-1,3-dienyl]-3-phenyl-1,2-oxazol-5-olate is O=C1ON=C(c2ccccc2)/C1=C/C=CC=Cc1c(-c2ccccc2)noc1[O-].
What is the InChIKey of 4-[(5Z)-5-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)penta-1,3-dienyl]-3-phenyl-1,2-oxazol-5-olate?
The InChIKey is NEDZCQDBZLHEGJ-YZSQLPPASA-M. The full InChI is InChI=1S/C23H16N2O4/c26-22-18(20(24-28-22)16-10-4-1-5-11-16)14-8-3-9-15-19-21(25-29-23(19)27)17-12-6-2-7-13-17/h1-15,26H/p-1/b9-3?,14-8?,19-15-.
What are the key properties of 4-[(5Z)-5-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)penta-1,3-dienyl]-3-phenyl-1,2-oxazol-5-olate?
4-[(5Z)-5-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)penta-1,3-dienyl]-3-phenyl-1,2-oxazol-5-olate has a molecular weight of 383.38 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5Z)-5-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)penta-1,3-dienyl]-3-phenyl-1,2-oxazol-5-olate is sourced from PubChem (CID 59905308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).