(2S)-4-benzyl-2-(fluoromethyl)-2-phenyl-5H-1,3-oxazole

C17H16FNO — CID 139048239

IUPAC(2S)-4-benzyl-2-(fluoromethyl)-2-phenyl-5H-1,3-oxazole
SMILESFC[C@@]1(c2ccccc2)N=C(Cc2ccccc2)CO1
InChIInChI=1S/C17H16FNO/c18-13-17(15-9-5-2-6-10-15)19-16(12-20-17)11-14-7-3-1-4-8-14/h1-10H,11-13H2/t17-/m1/s1
InChIKeyAJCRMOVSVMNUTJ-QGZVFWFLSA-N
MW269.32 g/mol
LogP3.52
Rot. Bonds4

About (2S)-4-benzyl-2-(fluoromethyl)-2-phenyl-5H-1,3-oxazole

(2S)-4-benzyl-2-(fluoromethyl)-2-phenyl-5H-1,3-oxazole (PubChem CID 139048239) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is (2S)-4-benzyl-2-(fluoromethyl)-2-phenyl-5H-1,3-oxazole.

Molecular Properties

Compound Name(2S)-4-benzyl-2-(fluoromethyl)-2-phenyl-5H-1,3-oxazole
PubChem CID139048239
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name(2S)-4-benzyl-2-(fluoromethyl)-2-phenyl-5H-1,3-oxazole
SMILESFC[C@@]1(c2ccccc2)N=C(Cc2ccccc2)CO1
InChIInChI=1S/C17H16FNO/c18-13-17(15-9-5-2-6-10-15)19-16(12-20-17)11-14-7-3-1-4-8-14/h1-10H,11-13H2/t17-/m1/s1
InChIKeyAJCRMOVSVMNUTJ-QGZVFWFLSA-N
XLogP3.52
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Diphenyl-1,3-oxazoline
CID 10889524
2-(2,6-Difluorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414791
4-(2,4-Difluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853270
2-(2-Fluorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414846
2-Methyl-4,5-diphenyl-4,5-dihydrooxazole
CID 583045
(S)-2,4-Diphenyl-4,5-dihydrooxazole
CID 54012743
2-(2,6-Difluorophenyl)-4-(3,4-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 76316005
2-(2,6-Difluorophenyl)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole
CID 76319746
2-(2,6-difluorophenyl)-4-methyl-4-phenyl-5H-1,3-oxazole
CID 76308796
(4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 44550907
4-(4-Fluorophenyl)-2-phenyl-4,5-dihydrooxazole
CID 101796543
(4R,5R)-2-(2-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 101797567

Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzyl-2-(fluoromethyl)-2-phenyl-5H-1,3-oxazole?
The IUPAC name of (2S)-4-benzyl-2-(fluoromethyl)-2-phenyl-5H-1,3-oxazole (CID 139048239) is (2S)-4-benzyl-2-(fluoromethyl)-2-phenyl-5H-1,3-oxazole.
What is the SMILES notation for (2S)-4-benzyl-2-(fluoromethyl)-2-phenyl-5H-1,3-oxazole?
The canonical SMILES for (2S)-4-benzyl-2-(fluoromethyl)-2-phenyl-5H-1,3-oxazole is FC[C@@]1(c2ccccc2)N=C(Cc2ccccc2)CO1.
What is the InChIKey of (2S)-4-benzyl-2-(fluoromethyl)-2-phenyl-5H-1,3-oxazole?
The InChIKey is AJCRMOVSVMNUTJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H16FNO/c18-13-17(15-9-5-2-6-10-15)19-16(12-20-17)11-14-7-3-1-4-8-14/h1-10H,11-13H2/t17-/m1/s1.
What are the key properties of (2S)-4-benzyl-2-(fluoromethyl)-2-phenyl-5H-1,3-oxazole?
(2S)-4-benzyl-2-(fluoromethyl)-2-phenyl-5H-1,3-oxazole has a molecular weight of 269.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzyl-2-(fluoromethyl)-2-phenyl-5H-1,3-oxazole is sourced from PubChem (CID 139048239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).