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

C23H17F2N3O3 — CID 50754153

IUPAC2-(2-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
SMILESCC(Oc1ccccc1F)C(=O)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C23H17F2N3O3/c1-14(30-20-5-3-2-4-19(20)25)22(29)26-18-12-8-16(9-13-18)23-27-21(28-31-23)15-6-10-17(24)11-7-15/h2-14H,1H3,(H,26,29)
InChIKeyQRVVQFUZPPDNQG-UHFFFAOYSA-N
MW421.40 g/mol
LogP5.09
Rot. Bonds6

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

2-(2-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide (PubChem CID 50754153) has the molecular formula C23H17F2N3O3 and a molecular weight of 421.40 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
PubChem CID50754153
Molecular FormulaC23H17F2N3O3
Molecular Weight421.40 g/mol
Exact Mass421.12
IUPAC Name2-(2-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
SMILESCC(Oc1ccccc1F)C(=O)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C23H17F2N3O3/c1-14(30-20-5-3-2-4-19(20)25)22(29)26-18-12-8-16(9-13-18)23-27-21(28-31-23)15-6-10-17(24)11-7-15/h2-14H,1H3,(H,26,29)
InChIKeyQRVVQFUZPPDNQG-UHFFFAOYSA-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

(2S)-2-(4-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39867025
(2R)-2-(2-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide
CID 39868107
(2R)-2-(2-fluorophenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866682
2-fluoro-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 39867075
N-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(2-methoxyphenyl)acetamide
CID 1291267
1-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
CID 50778299
(2R)-2-(2-fluorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 7815253
2-(2,3-dimethylphenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide
CID 46299621
(2S)-2-(4-fluorophenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866757
(2R)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-fluorophenoxy)propanamide
CID 35042818
2-(4-bromo-2-fluorophenoxy)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 154811264
1-butan-2-yl-3-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 50778401

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide (CID 50754153) is 2-(2-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide is CC(Oc1ccccc1F)C(=O)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide?
The InChIKey is QRVVQFUZPPDNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O3/c1-14(30-20-5-3-2-4-19(20)25)22(29)26-18-12-8-16(9-13-18)23-27-21(28-31-23)15-6-10-17(24)11-7-15/h2-14H,1H3,(H,26,29).
What are the key properties of 2-(2-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide?
2-(2-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 2-(2-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide is sourced from PubChem (CID 50754153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).