(2S)-2-(2-fluorophenoxy)-N-(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)propanamide

C21H16FN3O3 — CID 39867773

IUPAC(2S)-2-(2-fluorophenoxy)-N-(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)propanamide
SMILESC[C@H](Oc1ccccc1F)C(=O)Nc1noc(-c2cccc3ccccc23)n1
InChIInChI=1S/C21H16FN3O3/c1-13(27-18-12-5-4-11-17(18)22)19(26)23-21-24-20(28-25-21)16-10-6-8-14-7-2-3-9-15(14)16/h2-13H,1H3,(H,23,25,26)/t13-/m0/s1
InChIKeyCDTMEPODORBBFK-ZDUSSCGKSA-N
MW377.38 g/mol
LogP4.43
Rot. Bonds5

About (2S)-2-(2-fluorophenoxy)-N-(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)propanamide

(2S)-2-(2-fluorophenoxy)-N-(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)propanamide (PubChem CID 39867773) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenoxy)-N-(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenoxy)-N-(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)propanamide
PubChem CID39867773
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC Name(2S)-2-(2-fluorophenoxy)-N-(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)propanamide
SMILESC[C@H](Oc1ccccc1F)C(=O)Nc1noc(-c2cccc3ccccc23)n1
InChIInChI=1S/C21H16FN3O3/c1-13(27-18-12-5-4-11-17(18)22)19(26)23-21-24-20(28-25-21)16-10-6-8-14-7-2-3-9-15(14)16/h2-13H,1H3,(H,23,25,26)/t13-/m0/s1
InChIKeyCDTMEPODORBBFK-ZDUSSCGKSA-N
XLogP4.43
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(2-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide
CID 39868107
2-(4-fluorophenoxy)-N-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]propanamide
CID 50752042
(2R)-2-(2-fluorophenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866682
2-(2,3-dimethylphenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide
CID 46299621
2-(2-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 50754153
(2R)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-fluorophenoxy)propanamide
CID 35042818
(2S)-2-(2-fluorophenoxy)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 31885014
2-(2-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 155976896
N-(2,5-difluorophenyl)-2-(2-fluorophenoxy)propanamide
CID 86909512
(2R)-2-(2-fluorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 7815253
(2S)-N-(3-chlorophenyl)-2-(2-fluorophenoxy)propanamide
CID 887599
(2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)propanamide
CID 42280167

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenoxy)-N-(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)propanamide?
The IUPAC name of (2S)-2-(2-fluorophenoxy)-N-(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)propanamide (CID 39867773) is (2S)-2-(2-fluorophenoxy)-N-(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-(2-fluorophenoxy)-N-(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-(2-fluorophenoxy)-N-(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)propanamide is C[C@H](Oc1ccccc1F)C(=O)Nc1noc(-c2cccc3ccccc23)n1.
What is the InChIKey of (2S)-2-(2-fluorophenoxy)-N-(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)propanamide?
The InChIKey is CDTMEPODORBBFK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H16FN3O3/c1-13(27-18-12-5-4-11-17(18)22)19(26)23-21-24-20(28-25-21)16-10-6-8-14-7-2-3-9-15(14)16/h2-13H,1H3,(H,23,25,26)/t13-/m0/s1.
What are the key properties of (2S)-2-(2-fluorophenoxy)-N-(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)propanamide?
(2S)-2-(2-fluorophenoxy)-N-(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)propanamide has a molecular weight of 377.38 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenoxy)-N-(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)propanamide is sourced from PubChem (CID 39867773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).