JNJ-46778212

CAT: 0607-BA5560-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0607-BA5560-100Size:100 mg

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

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CAS Number

1363281-27-9

Form

A solid

Molecular Formula

C20H17FN2O3

Molecular Weight

352.36

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

VU0409551

a positive allosteric modulator of mGlu5 receptors; structure in first source

CAS Number	1363281-27-9
PubChem CID	56846694
IUPAC Name	(4-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
Molecular Formula	C20H17FN2O3
Molecular Weight	352.4
XLogP	3
Topological Polar Surface Area	55.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	478

SMILES

C1CN(CC2=C1N=C(O2)COC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H17FN2O3/c21-15-8-6-14(7-9-15)20(24)23-11-10-17-18(12-23)26-19(22-17)13-25-16-4-2-1-3-5-16/h1-9H,10-13H2

InChIKey

QUZLMKNNIUSREV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1363281-27-9

CID: 56846694

Formula: C20H17FN2O3

MW: 352.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	352.4
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	352.12232057
Monoisotopic Mass	352.12232057
Topological Polar Surface Area	55.6 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	478
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