3-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole

C10H10FNO — CID 175824370

IUPAC3-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C10H10FNO/c1-7-5-10(12-13-7)8-3-2-4-9(11)6-8/h2-4,6-7H,5H2,1H3
InChIKeyYYNWEEMGKBMNLE-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.34
Rot. Bonds1

About 3-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole

3-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 175824370) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole
PubChem CID175824370
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name3-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C10H10FNO/c1-7-5-10(12-13-7)8-3-2-4-9(11)6-8/h2-4,6-7H,5H2,1H3
InChIKeyYYNWEEMGKBMNLE-UHFFFAOYSA-N
XLogP2.34
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4'-Fluoroacetophenone oxime
CID 5382861
5-Methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one oxime
CID 18462343
(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
3-[4-fluoro-2-(trifluoromethyl)phenyl]-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,2]oxazole
CID 71456786
1-(4-Fluorophenyl)ethanone oxime
CID 9497
1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-, oxime
CID 57355301
5-(Bromomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 12384704
1-(3-Phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethan-1-ol
CID 13307489
(5R)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561450

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole (CID 175824370) is 3-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole is CC1CC(c2cccc(F)c2)=NO1.
What is the InChIKey of 3-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is YYNWEEMGKBMNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-7-5-10(12-13-7)8-3-2-4-9(11)6-8/h2-4,6-7H,5H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole?
3-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 179.19 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 175824370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).