3-[(3-fluorophenyl)methyl]-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole

C18H18FNO — CID 91455781

IUPAC3-[(3-fluorophenyl)methyl]-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
SMILESFc1cccc(CC2=CC(CCc3ccccc3)ON2)c1
InChIInChI=1S/C18H18FNO/c19-16-8-4-7-15(11-16)12-17-13-18(21-20-17)10-9-14-5-2-1-3-6-14/h1-8,11,13,18,20H,9-10,12H2
InChIKeyQFRONVXDUODJLD-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.79
Rot. Bonds5

About 3-[(3-fluorophenyl)methyl]-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole

3-[(3-fluorophenyl)methyl]-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole (PubChem CID 91455781) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
PubChem CID91455781
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name3-[(3-fluorophenyl)methyl]-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
SMILESFc1cccc(CC2=CC(CCc3ccccc3)ON2)c1
InChIInChI=1S/C18H18FNO/c19-16-8-4-7-15(11-16)12-17-13-18(21-20-17)10-9-14-5-2-1-3-6-14/h1-8,11,13,18,20H,9-10,12H2
InChIKeyQFRONVXDUODJLD-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4,4-Bis(4-fluorophenyl)butyl]-2,5-dihydro-1,2-oxazole
CID 57118295
5-(4-Fluorophenyl)-3-(3-iodophenyl)-2,5-dihydro-1,2-oxazole
CID 57249872
3-(4-Fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 90865219
1-cyclobutylidene-1-(4-fluorophenyl)-N-phenylmethoxymethanamine
CID 90896555
5-Benzyl-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 90911263
1-(3-fluoro-4-methylphenyl)-N-phenylmethoxypent-1-en-1-amine
CID 90926595
5-[2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-Hexadecafluoro-8-(trifluoromethyl)nonyl]-3-phenyl-2,5-dihydro-1,2-oxazole
CID 90941741
1-(4-fluorophenyl)-N-phenylmethoxybut-1-en-1-amine
CID 90954616
3-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyprop-1-en-1-amine
CID 91012287
5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononyl)-3-phenyl-2,5-dihydro-1,2-oxazole
CID 91040505
5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Henicosafluoroundecyl)-3-phenyl-2,5-dihydro-1,2-oxazole
CID 91064460
3-(3-Fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 91104820

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole (CID 91455781) is 3-[(3-fluorophenyl)methyl]-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole is Fc1cccc(CC2=CC(CCc3ccccc3)ON2)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is QFRONVXDUODJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c19-16-8-4-7-15(11-16)12-17-13-18(21-20-17)10-9-14-5-2-1-3-6-14/h1-8,11,13,18,20H,9-10,12H2.
What are the key properties of 3-[(3-fluorophenyl)methyl]-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
3-[(3-fluorophenyl)methyl]-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 283.35 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91455781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).