(2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide

C22H17FN2O3 — CID 42280164

IUPAC(2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C22H17FN2O3/c1-14(27-18-11-9-16(23)10-12-18)21(26)24-17-6-4-5-15(13-17)22-25-19-7-2-3-8-20(19)28-22/h2-14H,1H3,(H,24,26)/t14-/m0/s1
InChIKeyHIEQGWOLILXKII-AWEZNQCLSA-N
MW376.39 g/mol
LogP5.04
Rot. Bonds5

About (2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide

(2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide (PubChem CID 42280164) 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-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide
PubChem CID42280164
Molecular FormulaC22H17FN2O3
Molecular Weight376.39 g/mol
Exact Mass376.12
IUPAC Name(2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C22H17FN2O3/c1-14(27-18-11-9-16(23)10-12-18)21(26)24-17-6-4-5-15(13-17)22-25-19-7-2-3-8-20(19)28-22/h2-14H,1H3,(H,24,26)/t14-/m0/s1
InChIKeyHIEQGWOLILXKII-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

(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-(2-fluorophenoxy)propanamide
CID 42280167
(2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide
CID 92869531
(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenoxypropanamide
CID 1098892
2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259636
(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-(3-chlorophenoxy)propanamide
CID 9323078
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenyl)-2-methylpropanamide
CID 167932541
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenoxypropanamide
CID 2900094
(2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-phenylbutanamide
CID 2203697
(2R)-2-(4-fluorophenoxy)-N-naphthalen-2-ylpropanamide
CID 887383
(2R)-2-(4-fluorophenoxy)-N-(3-methylphenyl)propanamide
CID 26218148

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide?
The IUPAC name of (2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide (CID 42280164) is (2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for (2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide is C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1.
What is the InChIKey of (2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide?
The InChIKey is HIEQGWOLILXKII-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H17FN2O3/c1-14(27-18-11-9-16(23)10-12-18)21(26)24-17-6-4-5-15(13-17)22-25-19-7-2-3-8-20(19)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-(4-fluorophenoxy)propanamide?
(2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-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-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 42280164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).