N-cyclopentyl-2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanamide

C18H22FN3O2S — CID 60542044

IUPACN-cyclopentyl-2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanamide
SMILESCc1ccc(-c2noc(CSC(C)C(=O)NC3CCCC3)n2)cc1F
InChIInChI=1S/C18H22FN3O2S/c1-11-7-8-13(9-15(11)19)17-21-16(24-22-17)10-25-12(2)18(23)20-14-5-3-4-6-14/h7-9,12,14H,3-6,10H2,1-2H3,(H,20,23)
InChIKeyYDSRTJYJITWZCD-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.86
Rot. Bonds6

About N-cyclopentyl-2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanamide

N-cyclopentyl-2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanamide (PubChem CID 60542044) has the molecular formula C18H22FN3O2S and a molecular weight of 363.46 g/mol. Its IUPAC name is N-cyclopentyl-2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanamide
PubChem CID60542044
Molecular FormulaC18H22FN3O2S
Molecular Weight363.46 g/mol
Exact Mass363.14
IUPAC NameN-cyclopentyl-2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanamide
SMILESCc1ccc(-c2noc(CSC(C)C(=O)NC3CCCC3)n2)cc1F
InChIInChI=1S/C18H22FN3O2S/c1-11-7-8-13(9-15(11)19)17-21-16(24-22-17)10-25-12(2)18(23)20-14-5-3-4-6-14/h7-9,12,14H,3-6,10H2,1-2H3,(H,20,23)
InChIKeyYDSRTJYJITWZCD-UHFFFAOYSA-N
XLogP3.86
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide
CID 60541860
N-cyclopropyl-2-[4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CID 46512485
2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 61273245
(2S)-N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide
CID 95579029
1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63345348
N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-propan-2-ylcyclopentanamine
CID 56569879
N-(2,6-dimethylphenyl)-2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
CID 46581049
5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 46515894
1-cyclopropyl-2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 55200681
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropylpropanamide
CID 47321486
4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanoic acid
CID 62934394
3-(3-fluoro-4-methylphenyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 62689952

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanamide?
The IUPAC name of N-cyclopentyl-2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanamide (CID 60542044) is N-cyclopentyl-2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanamide?
The canonical SMILES for N-cyclopentyl-2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanamide is Cc1ccc(-c2noc(CSC(C)C(=O)NC3CCCC3)n2)cc1F.
What is the InChIKey of N-cyclopentyl-2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanamide?
The InChIKey is YDSRTJYJITWZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2S/c1-11-7-8-13(9-15(11)19)17-21-16(24-22-17)10-25-12(2)18(23)20-14-5-3-4-6-14/h7-9,12,14H,3-6,10H2,1-2H3,(H,20,23).
What are the key properties of N-cyclopentyl-2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanamide?
N-cyclopentyl-2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanamide has a molecular weight of 363.46 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanamide is sourced from PubChem (CID 60542044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).