(S) -4-CF3-Pyox-tBu

CAT: 0127-PC110645-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC110645-01Size:100 mg

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CAS Number

1257527-14-2

Purity

95%

Smiles

CC(C)(C)[C@@H](CO1)N=C1C2=NC=CC(C(F)(F)F)=C2

Chemical Information

(S)-4-(tert-Butyl)-2-(4-(trifluoromethyl)pyridin-2-yl)-4,5-dihydrooxazole

CAS Number	1257527-14-2
PubChem CID	97182182
IUPAC Name	(4S)-4-tert-butyl-2-[4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
Molecular Formula	C13H15F3N2O
Molecular Weight	272.27
XLogP	3.4
Topological Polar Surface Area	34.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	360

SMILES

CC(C)(C)[C@H]1COC(=N1)C2=NC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C13H15F3N2O/c1-12(2,3)10-7-19-11(18-10)9-6-8(4-5-17-9)13(14,15)16/h4-6,10H,7H2,1-3H3/t10-/m1/s1

InChIKey

ALYKOKFCPJUMPB-SNVBAGLBSA-N

Chemical Structure

2D Structure

CAS: 1257527-14-2

CID: 97182182

Formula: C13H15F3N2O

MW: 272.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	272.27
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	272.11364759
Monoisotopic Mass	272.11364759
Topological Polar Surface Area	34.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	360
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes