(2R)-2-[2-chloro-3-(trifluoromethyl)phenoxy]-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide

C22H15ClF3N3O3 — CID 73296649

IUPAC(2R)-2-[2-chloro-3-(trifluoromethyl)phenoxy]-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
SMILESC[C@@H](Oc1cccc(C(F)(F)F)c1Cl)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C22H15ClF3N3O3/c1-12(31-18-4-2-3-15(19(18)23)22(24,25)26)20(30)28-14-5-6-17-16(11-14)29-21(32-17)13-7-9-27-10-8-13/h2-12H,1H3,(H,28,30)/t12-/m1/s1
InChIKeyMAYPUBCAAAFKRQ-GFCCVEGCSA-N
MW461.83 g/mol
LogP5.97
Rot. Bonds5

About (2R)-2-[2-chloro-3-(trifluoromethyl)phenoxy]-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide

(2R)-2-[2-chloro-3-(trifluoromethyl)phenoxy]-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 73296649) has the molecular formula C22H15ClF3N3O3 and a molecular weight of 461.83 g/mol. Its IUPAC name is (2R)-2-[2-chloro-3-(trifluoromethyl)phenoxy]-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[2-chloro-3-(trifluoromethyl)phenoxy]-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
PubChem CID73296649
Molecular FormulaC22H15ClF3N3O3
Molecular Weight461.83 g/mol
Exact Mass461.08
IUPAC Name(2R)-2-[2-chloro-3-(trifluoromethyl)phenoxy]-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
SMILESC[C@@H](Oc1cccc(C(F)(F)F)c1Cl)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C22H15ClF3N3O3/c1-12(31-18-4-2-3-15(19(18)23)22(24,25)26)20(30)28-14-5-6-17-16(11-14)29-21(32-17)13-7-9-27-10-8-13/h2-12H,1H3,(H,28,30)/t12-/m1/s1
InChIKeyMAYPUBCAAAFKRQ-GFCCVEGCSA-N
XLogP5.97
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.83
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

2-(2-chlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 71661724
(2R)-2-(2,3-dichlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259642
(2R)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 73296650
2-(2-chloro-3-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259645
2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259641
(2S)-2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259676
2-naphthalen-1-yloxy-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 67473155
(2S)-2-[4-chloro-3-(fluoromethyl)phenoxy]-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 122543981
(2S)-2-(2,3-dichlorophenoxy)-N-[2-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-yl]propanamide
CID 71662424
2-(3-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 73296653
(2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide
CID 92869531
2-(2-bromophenoxy)-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]propanamide
CID 17172262

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-chloro-3-(trifluoromethyl)phenoxy]-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of (2R)-2-[2-chloro-3-(trifluoromethyl)phenoxy]-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide (CID 73296649) is (2R)-2-[2-chloro-3-(trifluoromethyl)phenoxy]-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-[2-chloro-3-(trifluoromethyl)phenoxy]-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-[2-chloro-3-(trifluoromethyl)phenoxy]-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide is C[C@@H](Oc1cccc(C(F)(F)F)c1Cl)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1.
What is the InChIKey of (2R)-2-[2-chloro-3-(trifluoromethyl)phenoxy]-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is MAYPUBCAAAFKRQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H15ClF3N3O3/c1-12(31-18-4-2-3-15(19(18)23)22(24,25)26)20(30)28-14-5-6-17-16(11-14)29-21(32-17)13-7-9-27-10-8-13/h2-12H,1H3,(H,28,30)/t12-/m1/s1.
What are the key properties of (2R)-2-[2-chloro-3-(trifluoromethyl)phenoxy]-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
(2R)-2-[2-chloro-3-(trifluoromethyl)phenoxy]-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 461.83 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-chloro-3-(trifluoromethyl)phenoxy]-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 73296649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).