3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide

C24H27FN4O2 — CID 55925379

IUPAC3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
SMILESCc1ccc(-c2noc(CCC(=O)NCC(c3ccccc3)N3CCCC3)n2)cc1F
InChIInChI=1S/C24H27FN4O2/c1-17-9-10-19(15-20(17)25)24-27-23(31-28-24)12-11-22(30)26-16-21(29-13-5-6-14-29)18-7-3-2-4-8-18/h2-4,7-10,15,21H,5-6,11-14,16H2,1H3,(H,26,30)
InChIKeyYTPVQYVPLUCMCY-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.07
Rot. Bonds8

About 3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide

3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 55925379) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
PubChem CID55925379
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC Name3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
SMILESCc1ccc(-c2noc(CCC(=O)NCC(c3ccccc3)N3CCCC3)n2)cc1F
InChIInChI=1S/C24H27FN4O2/c1-17-9-10-19(15-20(17)25)24-27-23(31-28-24)12-11-22(30)26-16-21(29-13-5-6-14-29)18-7-3-2-4-8-18/h2-4,7-10,15,21H,5-6,11-14,16H2,1H3,(H,26,30)
InChIKeyYTPVQYVPLUCMCY-UHFFFAOYSA-N
XLogP4.07
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 42936730
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46493557
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
CID 55648348
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 24544204
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-hydroxy-2-methylpentyl)propanamide
CID 111447019
N-(3-aminopropyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119406192
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 51966527
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111331338
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(N-methylanilino)propyl]propanamide
CID 55925508
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 24638682
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyphenyl)propanamide
CID 51089496
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
CID 60551762

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of 3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide (CID 55925379) is 3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for 3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for 3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide is Cc1ccc(-c2noc(CCC(=O)NCC(c3ccccc3)N3CCCC3)n2)cc1F.
What is the InChIKey of 3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is YTPVQYVPLUCMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-17-9-10-19(15-20(17)25)24-27-23(31-28-24)12-11-22(30)26-16-21(29-13-5-6-14-29)18-7-3-2-4-8-18/h2-4,7-10,15,21H,5-6,11-14,16H2,1H3,(H,26,30).
What are the key properties of 3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide?
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 422.50 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 55925379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).