4-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-6-methyl-3-methylideneoxan-2-one

C16H14FNO3 — CID 134970919

IUPAC4-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-6-methyl-3-methylideneoxan-2-one
SMILESC=C1C(=O)OC(C)CC1c1cc(-c2ccccc2F)no1
InChIInChI=1S/C16H14FNO3/c1-9-7-12(10(2)16(19)20-9)15-8-14(18-21-15)11-5-3-4-6-13(11)17/h3-6,8-9,12H,2,7H2,1H3
InChIKeyQACAYAWXPNEHPX-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.46
Rot. Bonds2

About 4-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-6-methyl-3-methylideneoxan-2-one

4-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-6-methyl-3-methylideneoxan-2-one (PubChem CID 134970919) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 4-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-6-methyl-3-methylideneoxan-2-one.

Molecular Properties

Compound Name4-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-6-methyl-3-methylideneoxan-2-one
PubChem CID134970919
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name4-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-6-methyl-3-methylideneoxan-2-one
SMILESC=C1C(=O)OC(C)CC1c1cc(-c2ccccc2F)no1
InChIInChI=1S/C16H14FNO3/c1-9-7-12(10(2)16(19)20-9)15-8-14(18-21-15)11-5-3-4-6-13(11)17/h3-6,8-9,12H,2,7H2,1H3
InChIKeyQACAYAWXPNEHPX-UHFFFAOYSA-N
XLogP3.46
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.46
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

6-methyl-3-methylidene-4-(3-phenyl-1,2-oxazol-5-yl)oxan-2-one
CID 134970913
6-methyl-3-methylidene-4-[3-(4-methylphenyl)-1,2-oxazol-5-yl]oxan-2-one
CID 134970915
(3R,5R)-3-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-5-methyloxolan-2-one
CID 9399365
(3R)-1-cyclopropyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 95623709
3,6-dimethyl-3,4,5,6-tetrahydro-2,7-benzodioxecine-1,8-dione
CID 141176159
(2,6-dimethylmorpholin-4-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone
CID 42754732
8-(2-fluorophenyl)-2-methyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine
CID 67959126
N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide
CID 130347890
2-ethyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrazole-3-carboxamide
CID 161191654
[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 51611887
4-(2-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136883194
3-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2-oxazole-5-carboxamide
CID 46971408

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-6-methyl-3-methylideneoxan-2-one?
The IUPAC name of 4-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-6-methyl-3-methylideneoxan-2-one (CID 134970919) is 4-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-6-methyl-3-methylideneoxan-2-one.
What is the SMILES notation for 4-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-6-methyl-3-methylideneoxan-2-one?
The canonical SMILES for 4-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-6-methyl-3-methylideneoxan-2-one is C=C1C(=O)OC(C)CC1c1cc(-c2ccccc2F)no1.
What is the InChIKey of 4-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-6-methyl-3-methylideneoxan-2-one?
The InChIKey is QACAYAWXPNEHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-9-7-12(10(2)16(19)20-9)15-8-14(18-21-15)11-5-3-4-6-13(11)17/h3-6,8-9,12H,2,7H2,1H3.
What are the key properties of 4-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-6-methyl-3-methylideneoxan-2-one?
4-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-6-methyl-3-methylideneoxan-2-one has a molecular weight of 287.29 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-6-methyl-3-methylideneoxan-2-one is sourced from PubChem (CID 134970919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).