(2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide

C22H17FN2O3 — CID 92869531

IUPAC(2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C22H17FN2O3/c1-14(27-18-5-3-2-4-6-18)21(26)24-17-11-12-20-19(13-17)25-22(28-20)15-7-9-16(23)10-8-15/h2-14H,1H3,(H,24,26)/t14-/m0/s1
InChIKeyBMFNXTDEXADMDY-AWEZNQCLSA-N
MW376.39 g/mol
LogP5.04
Rot. Bonds5

About (2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide

(2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide (PubChem CID 92869531) has the molecular formula C22H17FN2O3 and a molecular weight of 376.39 g/mol. Its IUPAC name is (2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide
PubChem CID92869531
Molecular FormulaC22H17FN2O3
Molecular Weight376.39 g/mol
Exact Mass376.12
IUPAC Name(2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C22H17FN2O3/c1-14(27-18-5-3-2-4-6-18)21(26)24-17-11-12-20-19(13-17)25-22(28-20)15-7-9-16(23)10-8-15/h2-14H,1H3,(H,24,26)/t14-/m0/s1
InChIKeyBMFNXTDEXADMDY-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

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Related Compounds

2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259636
(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenoxypropanamide
CID 1098892
(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-(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
(2R)-2-(2,3-dichlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259642
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
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 746929
2-(2-chlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 71661724

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide?
The IUPAC name of (2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide (CID 92869531) is (2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide is C[C@H](Oc1ccccc1)C(=O)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of (2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide?
The InChIKey is BMFNXTDEXADMDY-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H17FN2O3/c1-14(27-18-5-3-2-4-6-18)21(26)24-17-11-12-20-19(13-17)25-22(28-20)15-7-9-16(23)10-8-15/h2-14H,1H3,(H,24,26)/t14-/m0/s1.
What are the key properties of (2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide?
(2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide 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-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide is sourced from PubChem (CID 92869531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).