2-(2-fluoroprop-2-enyl)-2-(4-methoxyphenyl)-5-methylidene-4-phenyl-1,3-oxazole

C20H18FNO2 — CID 135015517

IUPAC2-(2-fluoroprop-2-enyl)-2-(4-methoxyphenyl)-5-methylidene-4-phenyl-1,3-oxazole
SMILESC=C(F)CC1(c2ccc(OC)cc2)N=C(c2ccccc2)C(=C)O1
InChIInChI=1S/C20H18FNO2/c1-14(21)13-20(17-9-11-18(23-3)12-10-17)22-19(15(2)24-20)16-7-5-4-6-8-16/h4-12H,1-2,13H2,3H3
InChIKeySRQNDPZJUMXXQJ-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.75
Rot. Bonds5

About 2-(2-fluoroprop-2-enyl)-2-(4-methoxyphenyl)-5-methylidene-4-phenyl-1,3-oxazole

2-(2-fluoroprop-2-enyl)-2-(4-methoxyphenyl)-5-methylidene-4-phenyl-1,3-oxazole (PubChem CID 135015517) has the molecular formula C20H18FNO2 and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-(2-fluoroprop-2-enyl)-2-(4-methoxyphenyl)-5-methylidene-4-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-fluoroprop-2-enyl)-2-(4-methoxyphenyl)-5-methylidene-4-phenyl-1,3-oxazole
PubChem CID135015517
Molecular FormulaC20H18FNO2
Molecular Weight323.37 g/mol
Exact Mass323.13
IUPAC Name2-(2-fluoroprop-2-enyl)-2-(4-methoxyphenyl)-5-methylidene-4-phenyl-1,3-oxazole
SMILESC=C(F)CC1(c2ccc(OC)cc2)N=C(c2ccccc2)C(=C)O1
InChIInChI=1S/C20H18FNO2/c1-14(21)13-20(17-9-11-18(23-3)12-10-17)22-19(15(2)24-20)16-7-5-4-6-8-16/h4-12H,1-2,13H2,3H3
InChIKeySRQNDPZJUMXXQJ-UHFFFAOYSA-N
XLogP4.75
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroprop-2-enyl)-2-(4-methoxyphenyl)-5-methylidene-4-phenyl-1,3-oxazole?
The IUPAC name of 2-(2-fluoroprop-2-enyl)-2-(4-methoxyphenyl)-5-methylidene-4-phenyl-1,3-oxazole (CID 135015517) is 2-(2-fluoroprop-2-enyl)-2-(4-methoxyphenyl)-5-methylidene-4-phenyl-1,3-oxazole.
What is the SMILES notation for 2-(2-fluoroprop-2-enyl)-2-(4-methoxyphenyl)-5-methylidene-4-phenyl-1,3-oxazole?
The canonical SMILES for 2-(2-fluoroprop-2-enyl)-2-(4-methoxyphenyl)-5-methylidene-4-phenyl-1,3-oxazole is C=C(F)CC1(c2ccc(OC)cc2)N=C(c2ccccc2)C(=C)O1.
What is the InChIKey of 2-(2-fluoroprop-2-enyl)-2-(4-methoxyphenyl)-5-methylidene-4-phenyl-1,3-oxazole?
The InChIKey is SRQNDPZJUMXXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2/c1-14(21)13-20(17-9-11-18(23-3)12-10-17)22-19(15(2)24-20)16-7-5-4-6-8-16/h4-12H,1-2,13H2,3H3.
What are the key properties of 2-(2-fluoroprop-2-enyl)-2-(4-methoxyphenyl)-5-methylidene-4-phenyl-1,3-oxazole?
2-(2-fluoroprop-2-enyl)-2-(4-methoxyphenyl)-5-methylidene-4-phenyl-1,3-oxazole has a molecular weight of 323.37 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroprop-2-enyl)-2-(4-methoxyphenyl)-5-methylidene-4-phenyl-1,3-oxazole is sourced from PubChem (CID 135015517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).