N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C20H22FN3O2S — CID 55782988

IUPACN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)(C)C(NC(=O)CCc1nc(-c2ccsc2)no1)c1ccc(F)cc1
InChIInChI=1S/C20H22FN3O2S/c1-20(2,3)18(13-4-6-15(21)7-5-13)22-16(25)8-9-17-23-19(24-26-17)14-10-11-27-12-14/h4-7,10-12,18H,8-9H2,1-3H3,(H,22,25)
InChIKeyDYTSQFUELSJFLZ-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.77
Rot. Bonds6

About N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55782988) has the molecular formula C20H22FN3O2S and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID55782988
Molecular FormulaC20H22FN3O2S
Molecular Weight387.48 g/mol
Exact Mass387.14
IUPAC NameN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)(C)C(NC(=O)CCc1nc(-c2ccsc2)no1)c1ccc(F)cc1
InChIInChI=1S/C20H22FN3O2S/c1-20(2,3)18(13-4-6-15(21)7-5-13)22-16(25)8-9-17-23-19(24-26-17)14-10-11-27-12-14/h4-7,10-12,18H,8-9H2,1-3H3,(H,22,25)
InChIKeyDYTSQFUELSJFLZ-UHFFFAOYSA-N
XLogP4.77
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9426673
N-[1-(4-ethylphenyl)-2-methylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 43013763
N-[2-(4-fluorophenyl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9080782
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide
CID 86970981
N-[cyclopropyl-(4-methylphenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24582544
N-(6-methylheptan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134044538
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24549306
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 27660244
N-(2-methylsulfanylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17465065
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100754420
N-(4-acetyl-1,3-thiazol-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17442927
(2R)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-3-methylbutanoic acid
CID 95773608

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 55782988) is N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is CC(C)(C)C(NC(=O)CCc1nc(-c2ccsc2)no1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is DYTSQFUELSJFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2S/c1-20(2,3)18(13-4-6-15(21)7-5-13)22-16(25)8-9-17-23-19(24-26-17)14-10-11-27-12-14/h4-7,10-12,18H,8-9H2,1-3H3,(H,22,25).
What are the key properties of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 387.48 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55782988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).