(2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)propanamide

C22H17FN2O3 — CID 42280167

IUPAC(2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)propanamide
SMILESC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C22H17FN2O3/c1-14(27-19-11-4-2-9-17(19)23)21(26)24-16-8-6-7-15(13-16)22-25-18-10-3-5-12-20(18)28-22/h2-14H,1H3,(H,24,26)/t14-/m0/s1
InChIKeyBGXYYCICVFXBPL-AWEZNQCLSA-N
MW376.39 g/mol
LogP5.04
Rot. Bonds5

About (2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)propanamide

(2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)propanamide (PubChem CID 42280167) has the molecular formula C22H17FN2O3 and a molecular weight of 376.39 g/mol. Its IUPAC name is (2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)propanamide
PubChem CID42280167
Molecular FormulaC22H17FN2O3
Molecular Weight376.39 g/mol
Exact Mass376.12
IUPAC Name(2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)propanamide
SMILESC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C22H17FN2O3/c1-14(27-19-11-4-2-9-17(19)23)21(26)24-16-8-6-7-15(13-16)22-25-18-10-3-5-12-20(18)28-22/h2-14H,1H3,(H,24,26)/t14-/m0/s1
InChIKeyBGXYYCICVFXBPL-AWEZNQCLSA-N
XLogP5.04
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.39
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)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

(2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide
CID 42280162
(2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide
CID 42280164
2-naphthalen-1-yloxy-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 67473155
(2S)-N-(3-chlorophenyl)-2-(2-fluorophenoxy)propanamide
CID 887599
(2R)-2-(2,3-dichlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259642
(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 2200168
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
(2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-phenylbutanamide
CID 2203697
2-(2-chloro-3-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259645
(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)propanamide
CID 9349857
(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenoxypropanamide
CID 1098892

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)propanamide?
The IUPAC name of (2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)propanamide (CID 42280167) is (2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)propanamide?
The canonical SMILES for (2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)propanamide is C[C@H](Oc1ccccc1F)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1.
What is the InChIKey of (2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)propanamide?
The InChIKey is BGXYYCICVFXBPL-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H17FN2O3/c1-14(27-19-11-4-2-9-17(19)23)21(26)24-16-8-6-7-15(13-16)22-25-18-10-3-5-12-20(18)28-22/h2-14H,1H3,(H,24,26)/t14-/m0/s1.
What are the key properties of (2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)propanamide?
(2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)propanamide has a molecular weight of 376.39 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)propanamide is sourced from PubChem (CID 42280167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).