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

C24H20FN3O3 — CID 39866682

IUPAC(2R)-2-(2-fluorophenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
SMILESCc1ccc(-c2noc(-c3ccccc3NC(=O)[C@@H](C)Oc3ccccc3F)n2)cc1
InChIInChI=1S/C24H20FN3O3/c1-15-11-13-17(14-12-15)22-27-24(31-28-22)18-7-3-5-9-20(18)26-23(29)16(2)30-21-10-6-4-8-19(21)25/h3-14,16H,1-2H3,(H,26,29)/t16-/m1/s1
InChIKeyZEPSVILIIYYSDH-MRXNPFEDSA-N
MW417.44 g/mol
LogP5.26
Rot. Bonds6

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

(2R)-2-(2-fluorophenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide (PubChem CID 39866682) has the molecular formula C24H20FN3O3 and a molecular weight of 417.44 g/mol. Its IUPAC name is (2R)-2-(2-fluorophenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-fluorophenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
PubChem CID39866682
Molecular FormulaC24H20FN3O3
Molecular Weight417.44 g/mol
Exact Mass417.15
IUPAC Name(2R)-2-(2-fluorophenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
SMILESCc1ccc(-c2noc(-c3ccccc3NC(=O)[C@@H](C)Oc3ccccc3F)n2)cc1
InChIInChI=1S/C24H20FN3O3/c1-15-11-13-17(14-12-15)22-27-24(31-28-22)18-7-3-5-9-20(18)26-23(29)16(2)30-21-10-6-4-8-19(21)25/h3-14,16H,1-2H3,(H,26,29)/t16-/m1/s1
InChIKeyZEPSVILIIYYSDH-MRXNPFEDSA-N
XLogP5.26
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.44
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866676
(2S)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866674
2-(4-bromo-2-fluorophenoxy)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 154811264
(2S)-2-(4-fluorophenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866757
2-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866411
2-(2-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 50754153
(2R)-2-(2-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide
CID 39868107
2-ethyl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide
CID 39866769
3-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide
CID 39866205
(2S)-2-(2-fluorophenoxy)-N-(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)propanamide
CID 39867773
4-fluoro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 4973284
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-diphenylacetamide
CID 30332666

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluorophenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide?
The IUPAC name of (2R)-2-(2-fluorophenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide (CID 39866682) is (2R)-2-(2-fluorophenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide.
What is the SMILES notation for (2R)-2-(2-fluorophenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide?
The canonical SMILES for (2R)-2-(2-fluorophenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide is Cc1ccc(-c2noc(-c3ccccc3NC(=O)[C@@H](C)Oc3ccccc3F)n2)cc1.
What is the InChIKey of (2R)-2-(2-fluorophenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide?
The InChIKey is ZEPSVILIIYYSDH-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H20FN3O3/c1-15-11-13-17(14-12-15)22-27-24(31-28-22)18-7-3-5-9-20(18)26-23(29)16(2)30-21-10-6-4-8-19(21)25/h3-14,16H,1-2H3,(H,26,29)/t16-/m1/s1.
What are the key properties of (2R)-2-(2-fluorophenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide?
(2R)-2-(2-fluorophenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide has a molecular weight of 417.44 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluorophenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide is sourced from PubChem (CID 39866682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).