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

C13H15F2NO — CID 143728817

IUPAC(4R)-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-/m0/s1
InChIKeyGNZKJKNCJMGKCV-ZDUSSCGKSA-N
MW239.26 g/mol
LogP3.41
Rot. Bonds3

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

(4R)-4-(3,4-difluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole (PubChem CID 143728817) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is (4R)-4-(3,4-difluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-(3,4-difluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole
PubChem CID143728817
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name(4R)-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-/m0/s1
InChIKeyGNZKJKNCJMGKCV-ZDUSSCGKSA-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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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3,4-difluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole?
The IUPAC name of (4R)-4-(3,4-difluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole (CID 143728817) is (4R)-4-(3,4-difluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole.
What is the SMILES notation for (4R)-4-(3,4-difluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole?
The canonical SMILES for (4R)-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 (4R)-4-(3,4-difluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole?
The InChIKey is GNZKJKNCJMGKCV-ZDUSSCGKSA-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-/m0/s1.
What are the key properties of (4R)-4-(3,4-difluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole?
(4R)-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 (4R)-4-(3,4-difluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole is sourced from PubChem (CID 143728817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).