Text Search
Structure Search

5-tert-butyl-2-[(4-nitrophenyl)methyl]-1,3-benzoxazole

5-tert-butyl-2-[(4-nitrophenyl)methyl]-1,3-benzoxazole

Formula: C18H18N2O3

SMILES: CC(C)(C)C1=CC=C2OC(CC3=CC=C(C=C3)[N+]([O-])=O)=NC2=C1

IUPAC: 5-tert-butyl-2-[(4-nitrophenyl)methyl]-1,3-benzoxazole

InChI: InChI=1S/C18H18N2O3/c1-18(2,3)13-6-9-16-15(11-13)19-17(23-16)10-12-4-7-14(8-5-12)20(21)22/h4-9,11H,10H2,1-3H3

Composition: C (69.66%), H (5.85%), N (9.03%), O (15.47%)

Molar Mass: 310.353

Atom Count: 41

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 310.131742448
Formal Charge 0
FSP3 0.28
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey YRFSEOOZVFVCOA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 86.87
Topological Polar Surface Area 69.17
Polarizability 34.32
Ring Count 3
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Struchem co.,ltd
Supplier Profile
Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C18H18N2O3 $1,541.00-$2,420.00$1,541.00$1,920.00$2,420.00
Request Quote