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PC-046

CAT: 0013-GTR19208130-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208130-01Size:25 mg
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Description
PC-046
CAS Number
1202401-59-9
Field of Research
Cell Biology, Epigenetics & Chromatin, Immunology & Inflammation, Signal Transduction
Smiles
O (C) C=1C=C (C=2C (=CC=NC2) C=3OC (=CN3) C4=CC=C (OC) C=C4) C=CC1
Molecular Formula
C22H18N2O3
Molecular Weight
358.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-(4-Methoxyphenyl)-2-(3-(3-methoxyphenyl)pyridin-4-yl)oxazole

structure in first source

CAS Number1202401-59-9
PubChem CID25235411
IUPAC Name5-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-pyridinyl]-1,3-oxazole
Molecular FormulaC22H18N2O3
Molecular Weight358.4
XLogP4.2
Topological Polar Surface Area57.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity455
SMILES
COC1=CC=C(C=C1)C2=CN=C(O2)C3=C(C=NC=C3)C4=CC(=CC=C4)OC
InChI
InChI=1S/C22H18N2O3/c1-25-17-8-6-15(7-9-17)21-14-24-22(27-21)19-10-11-23-13-20(19)16-4-3-5-18(12-16)26-2/h3-14H,1-2H3
InChIKey
CTNUOHRUVZXVHX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(4-Methoxyphenyl)-2-(3-(3-methoxyphenyl)pyridin-4-yl)oxazole
CAS: 1202401-59-9
CID: 25235411
Formula: C22H18N2O3
MW: 358.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.4
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass358.13174244
Monoisotopic Mass358.13174244
Topological Polar Surface Area57.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity455
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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