(2R)-N-(3-cyanophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide

C18H14N4O3 — CID 7556052

IUPAC(2R)-N-(3-cyanophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
SMILESC[C@@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C18H14N4O3/c1-12(17(23)21-15-4-2-3-13(9-15)10-19)25-16-7-5-14(6-8-16)18-22-20-11-24-18/h2-9,11-12H,1H3,(H,21,23)/t12-/m1/s1
InChIKeySHIDLCQHJDITCU-GFCCVEGCSA-N
MW334.34 g/mol
LogP3.01
Rot. Bonds5

About (2R)-N-(3-cyanophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide

(2R)-N-(3-cyanophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide (PubChem CID 7556052) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is (2R)-N-(3-cyanophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-cyanophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
PubChem CID7556052
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name(2R)-N-(3-cyanophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
SMILESC[C@@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C18H14N4O3/c1-12(17(23)21-15-4-2-3-13(9-15)10-19)25-16-7-5-14(6-8-16)18-22-20-11-24-18/h2-9,11-12H,1H3,(H,21,23)/t12-/m1/s1
InChIKeySHIDLCQHJDITCU-GFCCVEGCSA-N
XLogP3.01
TPSA101.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 42903748
(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide
CID 7642457
N-(4-chlorophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 78502401
(2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 7908176
(2S)-N-(3-fluoro-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 8851790
2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide
CID 17450699
(2S)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-sulfamoylphenyl)propanamide
CID 7908187
2-(4-cyanophenoxy)-N-(3-iodophenyl)propanamide
CID 78675814
2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 51140373
(2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide
CID 7694555
(2R)-N-(3-cyanophenyl)-2-(4-phenylmethoxyphenoxy)propanamide
CID 7950503
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-cyanophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
The IUPAC name of (2R)-N-(3-cyanophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide (CID 7556052) is (2R)-N-(3-cyanophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide.
What is the SMILES notation for (2R)-N-(3-cyanophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
The canonical SMILES for (2R)-N-(3-cyanophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide is C[C@@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of (2R)-N-(3-cyanophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
The InChIKey is SHIDLCQHJDITCU-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H14N4O3/c1-12(17(23)21-15-4-2-3-13(9-15)10-19)25-16-7-5-14(6-8-16)18-22-20-11-24-18/h2-9,11-12H,1H3,(H,21,23)/t12-/m1/s1.
What are the key properties of (2R)-N-(3-cyanophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
(2R)-N-(3-cyanophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide has a molecular weight of 334.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-cyanophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide is sourced from PubChem (CID 7556052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).