(2S)-2-(4-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide

C23H17F2N3O3 — CID 39867025

IUPAC(2S)-2-(4-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C23H17F2N3O3/c1-14(30-20-12-8-18(25)9-13-20)22(29)26-19-10-4-16(5-11-19)23-27-21(28-31-23)15-2-6-17(24)7-3-15/h2-14H,1H3,(H,26,29)/t14-/m0/s1
InChIKeyMLSFYGAKARCOBC-AWEZNQCLSA-N
MW421.40 g/mol
LogP5.09
Rot. Bonds6

About (2S)-2-(4-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide

(2S)-2-(4-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide (PubChem CID 39867025) has the molecular formula C23H17F2N3O3 and a molecular weight of 421.40 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
PubChem CID39867025
Molecular FormulaC23H17F2N3O3
Molecular Weight421.40 g/mol
Exact Mass421.12
IUPAC Name(2S)-2-(4-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C23H17F2N3O3/c1-14(30-20-12-8-18(25)9-13-20)22(29)26-19-10-4-16(5-11-19)23-27-21(28-31-23)15-2-6-17(24)7-3-15/h2-14H,1H3,(H,26,29)/t14-/m0/s1
InChIKeyMLSFYGAKARCOBC-AWEZNQCLSA-N
XLogP5.09
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.40
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 50754153
(2S)-2-(4-fluorophenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866757
1-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
CID 50778299
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
CID 21367225
methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate
CID 2934711
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931427
1-butan-2-yl-3-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 50778401
4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 8884358
4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide
CID 7709738
(2R)-N-(4-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086673

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide?
The IUPAC name of (2S)-2-(4-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide (CID 39867025) is (2S)-2-(4-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide?
The canonical SMILES for (2S)-2-(4-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide is C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide?
The InChIKey is MLSFYGAKARCOBC-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H17F2N3O3/c1-14(30-20-12-8-18(25)9-13-20)22(29)26-19-10-4-16(5-11-19)23-27-21(28-31-23)15-2-6-17(24)7-3-15/h2-14H,1H3,(H,26,29)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide?
(2S)-2-(4-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide has a molecular weight of 421.40 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide is sourced from PubChem (CID 39867025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).