(4Z)-4-[(3-fluorophenyl)methylidene]-2-(2-nitrophenyl)-1,3-oxazol-5-one

C16H9FN2O4 — CID 6306334

IUPAC(4Z)-4-[(3-fluorophenyl)methylidene]-2-(2-nitrophenyl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2[N+](=O)[O-])=N/C1=C\c1cccc(F)c1
InChIInChI=1S/C16H9FN2O4/c17-11-5-3-4-10(8-11)9-13-16(20)23-15(18-13)12-6-1-2-7-14(12)19(21)22/h1-9H/b13-9-
InChIKeySLNIZEHBDDENED-LCYFTJDESA-N
MW312.26 g/mol
LogP3.08
Rot. Bonds3

About (4Z)-4-[(3-fluorophenyl)methylidene]-2-(2-nitrophenyl)-1,3-oxazol-5-one

(4Z)-4-[(3-fluorophenyl)methylidene]-2-(2-nitrophenyl)-1,3-oxazol-5-one (PubChem CID 6306334) has the molecular formula C16H9FN2O4 and a molecular weight of 312.26 g/mol. Its IUPAC name is (4Z)-4-[(3-fluorophenyl)methylidene]-2-(2-nitrophenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(3-fluorophenyl)methylidene]-2-(2-nitrophenyl)-1,3-oxazol-5-one
PubChem CID6306334
Molecular FormulaC16H9FN2O4
Molecular Weight312.26 g/mol
Exact Mass312.05
IUPAC Name(4Z)-4-[(3-fluorophenyl)methylidene]-2-(2-nitrophenyl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2[N+](=O)[O-])=N/C1=C\c1cccc(F)c1
InChIInChI=1S/C16H9FN2O4/c17-11-5-3-4-10(8-11)9-13-16(20)23-15(18-13)12-6-1-2-7-14(12)19(21)22/h1-9H/b13-9-
InChIKeySLNIZEHBDDENED-LCYFTJDESA-N
XLogP3.08
TPSA81.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4Z)-4-[(3-methylphenyl)methylidene]-2-(2-nitrophenyl)-1,3-oxazol-5-one
CID 1237370
4-[(4-bromophenyl)methylidene]-2-(2-nitrophenyl)-1,3-oxazol-5-one
CID 1326352
4-[(4-chlorophenyl)methylidene]-2-(2-nitrophenyl)-1,3-oxazol-5-one
CID 704664
4-[(3-fluorophenyl)methylidene]-2-(2-methoxy-5-nitrophenyl)-1,3-oxazol-5-one
CID 4073234
(4Z)-2-(2-nitrophenyl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
CID 6307614
(4E)-4-[(4-ethoxyphenyl)methylidene]-2-(2-nitrophenyl)-1,3-oxazol-5-one
CID 6148042
(4E)-2-(2,4-dichlorophenyl)-4-[(3-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 2203832
2-naphthalen-1-yl-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5-one
CID 3361943
4-[(5-methylfuran-2-yl)methylidene]-2-(2-nitrophenyl)-1,3-oxazol-5-one
CID 3964122
(4E)-2-(2-fluorophenyl)-4-[(2-hydroxy-3-nitrophenyl)methylidene]-1,3-oxazol-5-one
CID 99902359
4-[(3-fluorophenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 794034
4-[(2-methoxyphenyl)methylidene]-2-(2-nitrophenyl)-1,3-oxazol-5-one
CID 4266216

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(3-fluorophenyl)methylidene]-2-(2-nitrophenyl)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[(3-fluorophenyl)methylidene]-2-(2-nitrophenyl)-1,3-oxazol-5-one (CID 6306334) is (4Z)-4-[(3-fluorophenyl)methylidene]-2-(2-nitrophenyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(3-fluorophenyl)methylidene]-2-(2-nitrophenyl)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(3-fluorophenyl)methylidene]-2-(2-nitrophenyl)-1,3-oxazol-5-one is O=C1OC(c2ccccc2[N+](=O)[O-])=N/C1=C\c1cccc(F)c1.
What is the InChIKey of (4Z)-4-[(3-fluorophenyl)methylidene]-2-(2-nitrophenyl)-1,3-oxazol-5-one?
The InChIKey is SLNIZEHBDDENED-LCYFTJDESA-N. The full InChI is InChI=1S/C16H9FN2O4/c17-11-5-3-4-10(8-11)9-13-16(20)23-15(18-13)12-6-1-2-7-14(12)19(21)22/h1-9H/b13-9-.
What are the key properties of (4Z)-4-[(3-fluorophenyl)methylidene]-2-(2-nitrophenyl)-1,3-oxazol-5-one?
(4Z)-4-[(3-fluorophenyl)methylidene]-2-(2-nitrophenyl)-1,3-oxazol-5-one has a molecular weight of 312.26 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(3-fluorophenyl)methylidene]-2-(2-nitrophenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 6306334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).