(4S)-4-(3,4-difluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole

C13H15F2NO — CID 143728751

IUPAC(4S)-4-(3,4-difluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole
SMILESCCCC1=N[C@@](C)(c2ccc(F)c(F)c2)CO1
InChIInChI=1S/C13H15F2NO/c1-3-4-12-16-13(2,8-17-12)9-5-6-10(14)11(15)7-9/h5-7H,3-4,8H2,1-2H3/t13-/m1/s1
InChIKeyGNZKJKNCJMGKCV-CYBMUJFWSA-N
MW239.26 g/mol
LogP3.41
Rot. Bonds3

About (4S)-4-(3,4-difluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole

(4S)-4-(3,4-difluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole (PubChem CID 143728751) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is (4S)-4-(3,4-difluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-(3,4-difluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole
PubChem CID143728751
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name(4S)-4-(3,4-difluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole
SMILESCCCC1=N[C@@](C)(c2ccc(F)c(F)c2)CO1
InChIInChI=1S/C13H15F2NO/c1-3-4-12-16-13(2,8-17-12)9-5-6-10(14)11(15)7-9/h5-7H,3-4,8H2,1-2H3/t13-/m1/s1
InChIKeyGNZKJKNCJMGKCV-CYBMUJFWSA-N
XLogP3.41
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole
CID 143728827
(4R)-4-(2-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole
CID 143728749
(4S)-2-ethyl-4-methyl-4-phenyl-5H-1,3-oxazole
CID 139265666
1,2-difluoro-4-propylbenzene;methane
CID 160697343
3-(3,4-difluorophenyl)oxetan-3-amine;hydrochloride
CID 137319852
(3R)-3-(3,4-difluorophenyl)-3-methylmorpholine
CID 96905346
5-(3,4-difluorophenyl)-5-methyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529191
5-(3,4-difluorophenyl)-5-methyl-3-propylimidazolidine-2,4-dione
CID 24523455
2-[3-(3,4-difluorophenyl)oxetan-3-yl]butanenitrile
CID 116875499
2-[3-(3,4-difluorophenyl)oxetan-3-yl]-N-methylbutan-1-amine
CID 116875600
(5S)-5-(3,4-difluorophenyl)-3-ethyl-5-methylimidazolidine-2,4-dione
CID 92799825
3-[3-(3,4-difluorophenyl)oxetan-3-yl]-2-methylpropan-1-amine
CID 116870264

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,4-difluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole?
The IUPAC name of (4S)-4-(3,4-difluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole (CID 143728751) is (4S)-4-(3,4-difluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole.
What is the SMILES notation for (4S)-4-(3,4-difluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole?
The canonical SMILES for (4S)-4-(3,4-difluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole is CCCC1=N[C@@](C)(c2ccc(F)c(F)c2)CO1.
What is the InChIKey of (4S)-4-(3,4-difluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole?
The InChIKey is GNZKJKNCJMGKCV-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H15F2NO/c1-3-4-12-16-13(2,8-17-12)9-5-6-10(14)11(15)7-9/h5-7H,3-4,8H2,1-2H3/t13-/m1/s1.
What are the key properties of (4S)-4-(3,4-difluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole?
(4S)-4-(3,4-difluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole has a molecular weight of 239.26 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3,4-difluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole is sourced from PubChem (CID 143728751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).