[4-(4-fluorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]-phenylmethanone

C18H16FNO2 — CID 155666053

IUPAC[4-(4-fluorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]-phenylmethanone
SMILESCC1=NC(C)(c2ccc(F)cc2)C(C(=O)c2ccccc2)O1
InChIInChI=1S/C18H16FNO2/c1-12-20-18(2,14-8-10-15(19)11-9-14)17(22-12)16(21)13-6-4-3-5-7-13/h3-11,17H,1-2H3
InChIKeyJEURLYFEJXLYJJ-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.74
Rot. Bonds3

About [4-(4-fluorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]-phenylmethanone

[4-(4-fluorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]-phenylmethanone (PubChem CID 155666053) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]-phenylmethanone
PubChem CID155666053
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name[4-(4-fluorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]-phenylmethanone
SMILESCC1=NC(C)(c2ccc(F)cc2)C(C(=O)c2ccccc2)O1
InChIInChI=1S/C18H16FNO2/c1-12-20-18(2,14-8-10-15(19)11-9-14)17(22-12)16(21)13-6-4-3-5-7-13/h3-11,17H,1-2H3
InChIKeyJEURLYFEJXLYJJ-UHFFFAOYSA-N
XLogP3.74
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-dimethyl-5H-1,3-oxazol-2-yl)-(3-fluorophenyl)methanone
CID 121016013
2-[(4S,4aS,5R)-7a-(2-fluorophenyl)-5-methyl-4-(trifluoromethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-yl]-1-phenylethanone
CID 157420886
[(4S,5R)-4-(4-fluorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]-phenylmethanone
CID 175764263
[(4R,5S)-4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1,3-oxazol-5-yl]-phenylmethanone
CID 101867320
[(4S,5R)-4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1,3-oxazol-5-yl]-phenylmethanone
CID 101867321
2-[7a-(2-Fluoro-5-iodophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-yl]-1-phenylethanone
CID 158356410
2-[(4aR,5R,7aS)-7a-(2-fluorophenyl)-5-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-yl]-1-phenylethanone
CID 159482288
2-[(4S,6S)-4-(2,3-difluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]-1-phenylethanone
CID 160387548
2-[(4R,5R,6S)-5-fluoro-6-(fluoromethyl)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-yl]-1-phenylethanone
CID 161934675
2-[(4aR,7aS)-5-(fluoromethyl)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-yl]-1-phenylethanone
CID 162048450
(4-methyl-4-phenyl-2-propan-2-yl-5H-1,3-oxazol-5-yl)-phenylmethanone
CID 155666051
(4-chlorophenyl)-[4-(4-chlorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]methanone
CID 155666055

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]-phenylmethanone?
The IUPAC name of [4-(4-fluorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]-phenylmethanone (CID 155666053) is [4-(4-fluorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]-phenylmethanone.
What is the SMILES notation for [4-(4-fluorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]-phenylmethanone?
The canonical SMILES for [4-(4-fluorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]-phenylmethanone is CC1=NC(C)(c2ccc(F)cc2)C(C(=O)c2ccccc2)O1.
What is the InChIKey of [4-(4-fluorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]-phenylmethanone?
The InChIKey is JEURLYFEJXLYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-12-20-18(2,14-8-10-15(19)11-9-14)17(22-12)16(21)13-6-4-3-5-7-13/h3-11,17H,1-2H3.
What are the key properties of [4-(4-fluorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]-phenylmethanone?
[4-(4-fluorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]-phenylmethanone has a molecular weight of 297.33 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]-phenylmethanone is sourced from PubChem (CID 155666053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).