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

C22H18FN3O3S — CID 38613806

IUPACN-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)Nc1cccc(COc2cccc(F)c2)c1
InChIInChI=1S/C22H18FN3O3S/c23-17-4-2-6-19(12-17)28-13-15-3-1-5-18(11-15)24-20(27)7-8-21-25-22(26-29-21)16-9-10-30-14-16/h1-6,9-12,14H,7-8,13H2,(H,24,27)
InChIKeyCJRXTYNSSMCIMN-UHFFFAOYSA-N
MW423.47 g/mol
LogP5.09
Rot. Bonds8

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

N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 38613806) has the molecular formula C22H18FN3O3S and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID38613806
Molecular FormulaC22H18FN3O3S
Molecular Weight423.47 g/mol
Exact Mass423.11
IUPAC NameN-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)Nc1cccc(COc2cccc(F)c2)c1
InChIInChI=1S/C22H18FN3O3S/c23-17-4-2-6-19(12-17)28-13-15-3-1-5-18(11-15)24-20(27)7-8-21-25-22(26-29-21)16-9-10-30-14-16/h1-6,9-12,14H,7-8,13H2,(H,24,27)
InChIKeyCJRXTYNSSMCIMN-UHFFFAOYSA-N
XLogP5.09
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46594973
N-pyridin-3-yl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 27165067
N-(3-methylsulfonylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9072654
methyl 2-[[3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoyl]amino]acetate
CID 55848093
N-[3,5-bis(trifluoromethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26689322
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenylmethoxyphenyl)propanamide
CID 9034807
N-(3-fluorophenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3340996
N-(pyridin-2-ylmethyl)-3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 55783491
N-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17486628
N-[3-(morpholine-4-carbonyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55748698
N-(3-bromophenyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100754735
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26689827

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 38613806) is N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccsc2)no1)Nc1cccc(COc2cccc(F)c2)c1.
What is the InChIKey of N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is CJRXTYNSSMCIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3S/c23-17-4-2-6-19(12-17)28-13-15-3-1-5-18(11-15)24-20(27)7-8-21-25-22(26-29-21)16-9-10-30-14-16/h1-6,9-12,14H,7-8,13H2,(H,24,27).
What are the key properties of N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 423.47 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 38613806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).