N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(4-fluorophenoxy)acetamide

C20H18FN3O3 — CID 71800489

IUPACN-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1ccccc1Cc1nc(C2CC2)no1
InChIInChI=1S/C20H18FN3O3/c21-15-7-9-16(10-8-15)26-12-18(25)22-17-4-2-1-3-14(17)11-19-23-20(24-27-19)13-5-6-13/h1-4,7-10,13H,5-6,11-12H2,(H,22,25)
InChIKeyBQEHNFVHYBUAMF-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.69
Rot. Bonds7

About N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(4-fluorophenoxy)acetamide

N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(4-fluorophenoxy)acetamide (PubChem CID 71800489) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(4-fluorophenoxy)acetamide
PubChem CID71800489
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC NameN-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1ccccc1Cc1nc(C2CC2)no1
InChIInChI=1S/C20H18FN3O3/c21-15-7-9-16(10-8-15)26-12-18(25)22-17-4-2-1-3-14(17)11-19-23-20(24-27-19)13-5-6-13/h1-4,7-10,13H,5-6,11-12H2,(H,22,25)
InChIKeyBQEHNFVHYBUAMF-UHFFFAOYSA-N
XLogP3.69
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyphenyl)propanamide
CID 866833
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenoxyphenyl)propanamide
CID 3241283
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide
CID 665625
2-(4-methoxyphenyl)-N-(4-{5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)acetamide
CID 3241412
N-{4-[5-(2,3-Dimethylphenoxymethyl)-1,2,4-oxadiazol-3-YL]phenyl}-2-(2-methoxyphenyl)acetamide
CID 4457709
N-(3-Fluoro-2-methylphenyl)-3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-YL]piperidine-1-carboxamide
CID 91918532
N-(3-Fluoro-2-methylphenyl)-3-{5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-YL}piperidine-1-carboxamide
CID 91918570
N-(2-ethoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3780590
2-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4900194
N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide
CID 4970793
N-[4-(cyclopropanecarbonylamino)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 18140921
N-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}-2-phenoxyacetamide
CID 20896102

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(4-fluorophenoxy)acetamide (CID 71800489) is N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(4-fluorophenoxy)acetamide is O=C(COc1ccc(F)cc1)Nc1ccccc1Cc1nc(C2CC2)no1.
What is the InChIKey of N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is BQEHNFVHYBUAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c21-15-7-9-16(10-8-15)26-12-18(25)22-17-4-2-1-3-14(17)11-19-23-20(24-27-19)13-5-6-13/h1-4,7-10,13H,5-6,11-12H2,(H,22,25).
What are the key properties of N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(4-fluorophenoxy)acetamide?
N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 367.38 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 71800489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).