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

C11H12FNO — CID 154713777

IUPAC5-(fluoromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESCC1C(c2ccccc2)=NOC1CF
InChIInChI=1S/C11H12FNO/c1-8-10(7-12)14-13-11(8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChIKeyNVDPQCNVZHMJHI-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.40
Rot. Bonds2

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

5-(fluoromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 154713777) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 5-(fluoromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(fluoromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID154713777
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name5-(fluoromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESCC1C(c2ccccc2)=NOC1CF
InChIInChI=1S/C11H12FNO/c1-8-10(7-12)14-13-11(8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChIKeyNVDPQCNVZHMJHI-UHFFFAOYSA-N
XLogP2.40
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
Isoxazole, 4,5-dihydro-3,5-diphenyl-
CID 98238
1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-, oxime
CID 57355301
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
(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

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(fluoromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole (CID 154713777) is 5-(fluoromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(fluoromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(fluoromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole is CC1C(c2ccccc2)=NOC1CF.
What is the InChIKey of 5-(fluoromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is NVDPQCNVZHMJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-8-10(7-12)14-13-11(8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3.
What are the key properties of 5-(fluoromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole?
5-(fluoromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 193.22 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 154713777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).