(4S)-4-(2-fluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole

C12H14FNO — CID 142401550

IUPAC(4S)-4-(2-fluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1=N[C@@H](c2ccccc2F)CO1
InChIInChI=1S/C12H14FNO/c1-8(2)12-14-11(7-15-12)9-5-3-4-6-10(9)13/h3-6,8,11H,7H2,1-2H3/t11-/m1/s1
InChIKeyXUYMXJYLZVPHFX-LLVKDONJSA-N
MW207.25 g/mol
LogP2.95
Rot. Bonds2

About (4S)-4-(2-fluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole

(4S)-4-(2-fluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 142401550) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is (4S)-4-(2-fluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-(2-fluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID142401550
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name(4S)-4-(2-fluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1=N[C@@H](c2ccccc2F)CO1
InChIInChI=1S/C12H14FNO/c1-8(2)12-14-11(7-15-12)9-5-3-4-6-10(9)13/h3-6,8,11H,7H2,1-2H3/t11-/m1/s1
InChIKeyXUYMXJYLZVPHFX-LLVKDONJSA-N
XLogP2.95
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-2-phenylmethyl-2-oxazoline
CID 98710
(S)-4-(3-Fluorophenyl)-4,5-dihydrooxazol-2-amine
CID 59323617
(S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 676388
Ph-box, (R,R)-
CID 676390
AG-H-02521
CID 5325154
(4R)-4-(2,4-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966110
(4S)-4-(2,3-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966111
(4S)-4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966114
(4S)-4-(3,4-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966462
4-(2,5-Difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323655
4-(3-Fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323744
(RS)-4-(2,4-Difluoro-phenyl)-4,5-dihydro-oxazol-2-ylamine
CID 59323878

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-fluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-(2-fluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 142401550) is (4S)-4-(2-fluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-(2-fluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-(2-fluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)C1=N[C@@H](c2ccccc2F)CO1.
What is the InChIKey of (4S)-4-(2-fluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is XUYMXJYLZVPHFX-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14FNO/c1-8(2)12-14-11(7-15-12)9-5-3-4-6-10(9)13/h3-6,8,11H,7H2,1-2H3/t11-/m1/s1.
What are the key properties of (4S)-4-(2-fluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-4-(2-fluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 207.25 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-fluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 142401550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).