N-(4-fluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide

C23H14FN3O2S — CID 97361916

IUPACN-(4-fluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C23H14FN3O2S/c24-16-7-9-17(10-8-16)25-22(28)15-6-11-20-18(12-15)21(27-29-20)19-13-30-23(26-19)14-4-2-1-3-5-14/h1-13H,(H,25,28)
InChIKeyUDGHXJBQNGEGHI-UHFFFAOYSA-N
MW415.45 g/mol
LogP6.01
Rot. Bonds4

About N-(4-fluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide

N-(4-fluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide (PubChem CID 97361916) has the molecular formula C23H14FN3O2S and a molecular weight of 415.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
PubChem CID97361916
Molecular FormulaC23H14FN3O2S
Molecular Weight415.45 g/mol
Exact Mass415.08
IUPAC NameN-(4-fluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C23H14FN3O2S/c24-16-7-9-17(10-8-16)25-22(28)15-6-11-20-18(12-15)21(27-29-20)19-13-30-23(26-19)14-4-2-1-3-5-14/h1-13H,(H,25,28)
InChIKeyUDGHXJBQNGEGHI-UHFFFAOYSA-N
XLogP6.01
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.45
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-fluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide 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-fluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide (CID 97361916) is N-(4-fluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide is O=C(Nc1ccc(F)cc1)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1.
What is the InChIKey of N-(4-fluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The InChIKey is UDGHXJBQNGEGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FN3O2S/c24-16-7-9-17(10-8-16)25-22(28)15-6-11-20-18(12-15)21(27-29-20)19-13-30-23(26-19)14-4-2-1-3-5-14/h1-13H,(H,25,28).
What are the key properties of N-(4-fluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide?
N-(4-fluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 97361916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).