N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetamide;ethane

C24H22F3N3O4 — CID 144508839

IUPACN-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetamide;ethane
SMILESCC.Nc1noc2cc(NC(=O)C(O)c3cccc(-c4ccc(OC(F)(F)F)cc4)c3)ccc12
InChIInChI=1S/C22H16F3N3O4.C2H6/c23-22(24,25)31-16-7-4-12(5-8-16)13-2-1-3-14(10-13)19(29)21(30)27-15-6-9-17-18(11-15)32-28-20(17)26;1-2/h1-11,19,29H,(H2,26,28)(H,27,30);1-2H3
InChIKeyDRIOHLWPCVYPST-UHFFFAOYSA-N
MW473.45 g/mol
LogP5.67
Rot. Bonds5

About N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetamide;ethane

N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetamide;ethane (PubChem CID 144508839) has the molecular formula C24H22F3N3O4 and a molecular weight of 473.45 g/mol. Its IUPAC name is N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetamide;ethane.

Molecular Properties

Compound NameN-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetamide;ethane
PubChem CID144508839
Molecular FormulaC24H22F3N3O4
Molecular Weight473.45 g/mol
Exact Mass473.16
IUPAC NameN-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetamide;ethane
SMILESCC.Nc1noc2cc(NC(=O)C(O)c3cccc(-c4ccc(OC(F)(F)F)cc4)c3)ccc12
InChIInChI=1S/C22H16F3N3O4.C2H6/c23-22(24,25)31-16-7-4-12(5-8-16)13-2-1-3-14(10-13)19(29)21(30)27-15-6-9-17-18(11-15)32-28-20(17)26;1-2/h1-11,19,29H,(H2,26,28)(H,27,30);1-2H3
InChIKeyDRIOHLWPCVYPST-UHFFFAOYSA-N
XLogP5.67
TPSA110.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.45
LogP ≤ 55.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetamide;ethane 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-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetamide;ethane?
The IUPAC name of N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetamide;ethane (CID 144508839) is N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetamide;ethane.
What is the SMILES notation for N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetamide;ethane?
The canonical SMILES for N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetamide;ethane is CC.Nc1noc2cc(NC(=O)C(O)c3cccc(-c4ccc(OC(F)(F)F)cc4)c3)ccc12.
What is the InChIKey of N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetamide;ethane?
The InChIKey is DRIOHLWPCVYPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O4.C2H6/c23-22(24,25)31-16-7-4-12(5-8-16)13-2-1-3-14(10-13)19(29)21(30)27-15-6-9-17-18(11-15)32-28-20(17)26;1-2/h1-11,19,29H,(H2,26,28)(H,27,30);1-2H3.
What are the key properties of N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetamide;ethane?
N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetamide;ethane has a molecular weight of 473.45 g/mol, XLogP of 5.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetamide;ethane is sourced from PubChem (CID 144508839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).