N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

C22H14ClF3N2O3 — CID 46231238

IUPACN-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C22H14ClF3N2O3/c23-15-6-9-19-18(11-15)28-21(31-19)13-4-7-16(8-5-13)27-20(29)12-30-17-3-1-2-14(10-17)22(24,25)26/h1-11H,12H2,(H,27,29)
InChIKeyVVKJEVDMIQNHQM-UHFFFAOYSA-N
MW446.81 g/mol
LogP6.18
Rot. Bonds5

About N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 46231238) has the molecular formula C22H14ClF3N2O3 and a molecular weight of 446.81 g/mol. Its IUPAC name is N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID46231238
Molecular FormulaC22H14ClF3N2O3
Molecular Weight446.81 g/mol
Exact Mass446.06
IUPAC NameN-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C22H14ClF3N2O3/c23-15-6-9-19-18(11-15)28-21(31-19)13-4-7-16(8-5-13)27-20(29)12-30-17-3-1-2-14(10-17)22(24,25)26/h1-11H,12H2,(H,27,29)
InChIKeyVVKJEVDMIQNHQM-UHFFFAOYSA-N
XLogP6.18
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.81
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 46231238) is N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1.
What is the InChIKey of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is VVKJEVDMIQNHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF3N2O3/c23-15-6-9-19-18(11-15)28-21(31-19)13-4-7-16(8-5-13)27-20(29)12-30-17-3-1-2-14(10-17)22(24,25)26/h1-11H,12H2,(H,27,29).
What are the key properties of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 446.81 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 46231238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).