Methiozolin

CAT: 0926-DRA64027-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-DRA64027-01Size:25 mg

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CAS Number

403640-27-7

Smiles

C1CNCC2=C1OC (=C2) C=O

Molecular Formula

C17H17F2NO2S

Molecular Weight

337.4 g/mol

Controlled

Chemical Information

Methiozolin

CAS Number	403640-27-7
PubChem CID	11500973
IUPAC Name	5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(3-methylthiophen-2-yl)-4H-1,2-oxazole
Molecular Formula	C17H17F2NO2S
Molecular Weight	337.4
XLogP	4
Topological Polar Surface Area	59.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	440

SMILES

CC1=C(SC=C1)C2=NOC(C2)(C)COCC3=C(C=CC=C3F)F

InChI

InChI=1S/C17H17F2NO2S/c1-11-6-7-23-16(11)15-8-17(2,22-20-15)10-21-9-12-13(18)4-3-5-14(12)19/h3-7H,8-10H2,1-2H3

InChIKey

OPEJGICLTMWFNQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 403640-27-7

CID: 11500973

Formula: C17H17F2NO2S

MW: 337.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	337.4
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	337.09480628
Monoisotopic Mass	337.09480628
Topological Polar Surface Area	59.1 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	440
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TRC-M778505-5MG	Methiozolin
TRC-C778500-25MG	5-Chloro-methiozolin