N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide

C16H14FN3O2S — CID 95100271

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESC[C@@H](NC(=O)Cc1nnc(-c2cccs2)o1)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O2S/c1-10(11-4-6-12(17)7-5-11)18-14(21)9-15-19-20-16(22-15)13-3-2-8-23-13/h2-8,10H,9H2,1H3,(H,18,21)/t10-/m1/s1
InChIKeyOYLNSMLKUHVYIO-SNVBAGLBSA-N
MW331.37 g/mol
LogP3.36
Rot. Bonds5

About N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 95100271) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID95100271
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESC[C@@H](NC(=O)Cc1nnc(-c2cccs2)o1)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O2S/c1-10(11-4-6-12(17)7-5-11)18-14(21)9-15-19-20-16(22-15)13-3-2-8-23-13/h2-8,10H,9H2,1H3,(H,18,21)/t10-/m1/s1
InChIKeyOYLNSMLKUHVYIO-SNVBAGLBSA-N
XLogP3.36
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 78765310
N-[1-(4-ethylphenyl)ethyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 18088478
N-[(1R)-1-phenylethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 95100273
N-(thiophen-2-ylmethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53161971
N-[1-(4-ethylphenyl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78588057
2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide
CID 9375346
2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9375353
N-[(4-methylphenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53161973
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 52751080
1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 78818373
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
N-[1-(2,4-difluorophenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24666325

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 95100271) is N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide is C[C@@H](NC(=O)Cc1nnc(-c2cccs2)o1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is OYLNSMLKUHVYIO-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-10(11-4-6-12(17)7-5-11)18-14(21)9-15-19-20-16(22-15)13-3-2-8-23-13/h2-8,10H,9H2,1H3,(H,18,21)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 331.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 95100271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).