Text Search
Structure Search

4-amino-N-(2-{[(3-chlorophenyl)methyl]amino}ethyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(2-{[(3-chlorophenyl)methyl]amino}ethyl)-1,2,5-oxadiazole-3-carboxamide

Formula: C12H14ClN5O2

SMILES: NC1=NON=C1C(=O)NCCNCC1=CC(Cl)=CC=C1

IUPAC: 4-amino-N-(2-{[(3-chlorophenyl)methyl]amino}ethyl)-1,2,5-oxadiazole-3-carboxamide

InChI: InChI=1S/C12H14ClN5O2/c13-9-3-1-2-8(6-9)7-15-4-5-16-12(19)10-11(14)18-20-17-10/h1-3,6,15H,4-5,7H2,(H2,14,18)(H,16,19)

Composition: C (48.74%), H (4.77%), Cl (11.99%), N (23.68%), O (10.82%)

Molar Mass: 295.73

Atom Count: 34

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 295.0836024
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey NQZVOJNQVXITBG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.19
Topological Polar Surface Area 106.07
Polarizability 28.04
Ring Count 2
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C12H14ClN5O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote