Roxadustat Impurity 85

CAT: 1299-RM-R152485-02Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-R152485-02Size:25 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

2696486-42-5

Synonyms

Ethyl 5- (4-phenoxyphenyl) oxazole-4-carboxylate

Molecular Formula

C18H15NO4

Molecular Weight

309.32

Target Alternative Name

Roxadustat

Product Name Synonym

Ethyl 5- (4-phenoxyphenyl) oxazole-4-carboxylate

Chemical Information

Ethyl 5-(4-phenoxyphenyl)oxazole-4-carboxylate

CAS Number	2696486-42-5
PubChem CID	177831563
IUPAC Name	ethyl 5-(4-phenoxyphenyl)-1,3-oxazole-4-carboxylate
Molecular Formula	C18H15NO4
Molecular Weight	309.3
XLogP	4.1
Topological Polar Surface Area	61.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	23
Formal Charge	0
Complexity	375

SMILES

CCOC(=O)C1=C(OC=N1)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C18H15NO4/c1-2-21-18(20)16-17(22-12-19-16)13-8-10-15(11-9-13)23-14-6-4-3-5-7-14/h3-12H,2H2,1H3

InChIKey

VQGDINXANIUHDU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2696486-42-5

CID: 177831563

Formula: C18H15NO4

MW: 309.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	309.3
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	309.10010796
Monoisotopic Mass	309.10010796
Topological Polar Surface Area	61.6 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	375
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes