PY-60

CAT: 0127-BUP07915-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP07915-01Size:10 mg

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

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CAS Number

2765218-56-0

Purity

=98%

Smiles

C(NCCCC1=NC=CS1)(=O)C=2C=C(ON2)C3=CC=CC=C3

Chemical Information

5-Phenyl-N-(3-(thiazol-2-yl)propyl)isoxazole-3-carboxamide

CAS Number	2765218-56-0
PubChem CID	155387479
IUPAC Name	5-phenyl-N-[3-(1,3-thiazol-2-yl)propyl]-1,2-oxazole-3-carboxamide
Molecular Formula	C16H15N3O2S
Molecular Weight	313.4
XLogP	3
Topological Polar Surface Area	96.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	22
Formal Charge	0
Complexity	363

SMILES

C1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCC3=NC=CS3

InChI

InChI=1S/C16H15N3O2S/c20-16(18-8-4-7-15-17-9-10-22-15)13-11-14(21-19-13)12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,18,20)

InChIKey

UFASECSYKSMYET-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2765218-56-0

CID: 155387479

Formula: C16H15N3O2S

MW: 313.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	313.4
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	313.08849790
Monoisotopic Mass	313.08849790
Topological Polar Surface Area	96.3 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	363
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