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

C15H10FNO3 — CID 740485

IUPAC(4Z)-2-(2-fluorophenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one
SMILESCc1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)o1
InChIInChI=1S/C15H10FNO3/c1-9-6-7-10(19-9)8-13-15(18)20-14(17-13)11-4-2-3-5-12(11)16/h2-8H,1H3/b13-8-
InChIKeyMXTIXTLKKYFSOC-JYRVWZFOSA-N
MW271.25 g/mol
LogP3.07
Rot. Bonds2

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

(4Z)-2-(2-fluorophenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one (PubChem CID 740485) has the molecular formula C15H10FNO3 and a molecular weight of 271.25 g/mol. Its IUPAC name is (4Z)-2-(2-fluorophenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(2-fluorophenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one
PubChem CID740485
Molecular FormulaC15H10FNO3
Molecular Weight271.25 g/mol
Exact Mass271.06
IUPAC Name(4Z)-2-(2-fluorophenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one
SMILESCc1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)o1
InChIInChI=1S/C15H10FNO3/c1-9-6-7-10(19-9)8-13-15(18)20-14(17-13)11-4-2-3-5-12(11)16/h2-8H,1H3/b13-8-
InChIKeyMXTIXTLKKYFSOC-JYRVWZFOSA-N
XLogP3.07
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 53.07
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

2-(2-fluorophenyl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one
CID 1361777
4-[(5-methylfuran-2-yl)methylidene]-2-(2-nitrophenyl)-1,3-oxazol-5-one
CID 3964122
(4Z)-2-(2-fluorophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 687443
(4Z)-2-(4-chlorophenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one
CID 805721
(4Z)-2-(2-fluorophenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one
CID 17466849
2-(2-fluorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3420366
(4Z)-2-(3-bromophenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one
CID 6519658
[4-[(E)-[2-(2-fluorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] acetate
CID 740152
2-(2-fluorophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
CID 2844190
4-[(5-methylfuran-2-yl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one
CID 3109540
(4E)-4-[(5-methylfuran-2-yl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one
CID 805741
(4Z)-2-(2-chloro-5-nitrophenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one
CID 19672081

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(2-fluorophenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(2-fluorophenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one (CID 740485) is (4Z)-2-(2-fluorophenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(2-fluorophenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(2-fluorophenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one is Cc1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)o1.
What is the InChIKey of (4Z)-2-(2-fluorophenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one?
The InChIKey is MXTIXTLKKYFSOC-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H10FNO3/c1-9-6-7-10(19-9)8-13-15(18)20-14(17-13)11-4-2-3-5-12(11)16/h2-8H,1H3/b13-8-.
What are the key properties of (4Z)-2-(2-fluorophenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one?
(4Z)-2-(2-fluorophenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one has a molecular weight of 271.25 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(2-fluorophenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 740485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).