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

C11H12FNO — CID 102340044

IUPAC(4R,5S)-5-(fluoromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESC[C@@H]1C(c2ccccc2)=NO[C@@H]1CF
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/t8-,10+/m0/s1
InChIKeyNVDPQCNVZHMJHI-WCBMZHEXSA-N
MW193.22 g/mol
LogP2.40
Rot. Bonds2

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

(4R,5S)-5-(fluoromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 102340044) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is (4R,5S)-5-(fluoromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(4R,5S)-5-(fluoromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID102340044
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name(4R,5S)-5-(fluoromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESC[C@@H]1C(c2ccccc2)=NO[C@@H]1CF
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/t8-,10+/m0/s1
InChIKeyNVDPQCNVZHMJHI-WCBMZHEXSA-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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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-(fluoromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (4R,5S)-5-(fluoromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole (CID 102340044) is (4R,5S)-5-(fluoromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (4R,5S)-5-(fluoromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (4R,5S)-5-(fluoromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole is C[C@@H]1C(c2ccccc2)=NO[C@@H]1CF.
What is the InChIKey of (4R,5S)-5-(fluoromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is NVDPQCNVZHMJHI-WCBMZHEXSA-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/t8-,10+/m0/s1.
What are the key properties of (4R,5S)-5-(fluoromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole?
(4R,5S)-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 (4R,5S)-5-(fluoromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 102340044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).