(3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-6-fluorochromen-4-one

C15H12FNO3 — CID 75462971

IUPAC(3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-6-fluorochromen-4-one
SMILESCc1noc(C)c1/C=C1/COc2ccc(F)cc2C1=O
InChIInChI=1S/C15H12FNO3/c1-8-12(9(2)20-17-8)5-10-7-19-14-4-3-11(16)6-13(14)15(10)18/h3-6H,7H2,1-2H3/b10-5-
InChIKeyCPMSUGSIPBUMDH-YHYXMXQVSA-N
MW273.26 g/mol
LogP3.09
Rot. Bonds1

About (3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-6-fluorochromen-4-one

(3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-6-fluorochromen-4-one (PubChem CID 75462971) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is (3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-6-fluorochromen-4-one.

Molecular Properties

Compound Name(3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-6-fluorochromen-4-one
PubChem CID75462971
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name(3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-6-fluorochromen-4-one
SMILESCc1noc(C)c1/C=C1/COc2ccc(F)cc2C1=O
InChIInChI=1S/C15H12FNO3/c1-8-12(9(2)20-17-8)5-10-7-19-14-4-3-11(16)6-13(14)15(10)18/h3-6H,7H2,1-2H3/b10-5-
InChIKeyCPMSUGSIPBUMDH-YHYXMXQVSA-N
XLogP3.09
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 53.09
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

5-(2-Butoxy-phenyl)-isoxazole
CID 11183547
5-(4-Butoxy-phenyl)-3-methyl-isoxazole
CID 11253245
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 25163555
[2-(2-Methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 8850722
Ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 705269
3,5-Diethyl-4-[6-(3-iodophenoxy)hexyl]isoxazole
CID 5271169
3,5-Diethyl-4-[6-(2-fluorophenoxy)hexyl]isoxazole
CID 5271172
1-[4-[7-(3-Methylisoxazol-5-yl)heptoxy]phenyl]ethanone
CID 5271197
5-[7-(4-Propionylphenoxy)heptyl]-3-methylisoxazole
CID 5271198
5-[7-(4-Isopropylphenoxy)heptyl]-3-methyl-isoxazole
CID 5271201
1-[4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone
CID 704120
2-((3,5-Dimethylisoxazol-4-yl)methoxy)-N-(4-fluorobenzyl)-N-methylbenzamide
CID 25162227

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-6-fluorochromen-4-one?
The IUPAC name of (3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-6-fluorochromen-4-one (CID 75462971) is (3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-6-fluorochromen-4-one.
What is the SMILES notation for (3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-6-fluorochromen-4-one?
The canonical SMILES for (3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-6-fluorochromen-4-one is Cc1noc(C)c1/C=C1/COc2ccc(F)cc2C1=O.
What is the InChIKey of (3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-6-fluorochromen-4-one?
The InChIKey is CPMSUGSIPBUMDH-YHYXMXQVSA-N. The full InChI is InChI=1S/C15H12FNO3/c1-8-12(9(2)20-17-8)5-10-7-19-14-4-3-11(16)6-13(14)15(10)18/h3-6H,7H2,1-2H3/b10-5-.
What are the key properties of (3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-6-fluorochromen-4-one?
(3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-6-fluorochromen-4-one has a molecular weight of 273.26 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-6-fluorochromen-4-one is sourced from PubChem (CID 75462971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).