5-[2-(3-fluorophenyl)ethyl]-3-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole

C19H20FNO — CID 143808452

IUPAC5-[2-(3-fluorophenyl)ethyl]-3-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole
SMILESCc1ccccc1CC1=NOC(CCc2cccc(F)c2)C1
InChIInChI=1S/C19H20FNO/c1-14-5-2-3-7-16(14)12-18-13-19(22-21-18)10-9-15-6-4-8-17(20)11-15/h2-8,11,19H,9-10,12-13H2,1H3
InChIKeyFVHRUWWKGVZVRB-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.45
Rot. Bonds5

About 5-[2-(3-fluorophenyl)ethyl]-3-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole

5-[2-(3-fluorophenyl)ethyl]-3-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole (PubChem CID 143808452) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 5-[2-(3-fluorophenyl)ethyl]-3-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-[2-(3-fluorophenyl)ethyl]-3-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole
PubChem CID143808452
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name5-[2-(3-fluorophenyl)ethyl]-3-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole
SMILESCc1ccccc1CC1=NOC(CCc2cccc(F)c2)C1
InChIInChI=1S/C19H20FNO/c1-14-5-2-3-7-16(14)12-18-13-19(22-21-18)10-9-15-6-4-8-17(20)11-15/h2-8,11,19H,9-10,12-13H2,1H3
InChIKeyFVHRUWWKGVZVRB-UHFFFAOYSA-N
XLogP4.45
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561968
(5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561970
(5R)-5-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561972
3-[4-Fluoro-2-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole
CID 71449648
(5R)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561450
(5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561453
(5S)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561971
(5S)-5-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71562089
5-Benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 13682273
3-Benzyl-5-phenyl-4,5-dihydro-1,2-oxazole
CID 15470983
(5S)-5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561969
3,5-Dibenzyl-4,5-dihydro-1,2-oxazole
CID 15270458

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluorophenyl)ethyl]-3-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-[2-(3-fluorophenyl)ethyl]-3-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole (CID 143808452) is 5-[2-(3-fluorophenyl)ethyl]-3-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-[2-(3-fluorophenyl)ethyl]-3-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-[2-(3-fluorophenyl)ethyl]-3-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole is Cc1ccccc1CC1=NOC(CCc2cccc(F)c2)C1.
What is the InChIKey of 5-[2-(3-fluorophenyl)ethyl]-3-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is FVHRUWWKGVZVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c1-14-5-2-3-7-16(14)12-18-13-19(22-21-18)10-9-15-6-4-8-17(20)11-15/h2-8,11,19H,9-10,12-13H2,1H3.
What are the key properties of 5-[2-(3-fluorophenyl)ethyl]-3-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole?
5-[2-(3-fluorophenyl)ethyl]-3-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 297.37 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluorophenyl)ethyl]-3-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 143808452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).