N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,6-difluorophenyl)ethyl]acetamide

C17H20F2N4O2 — CID 120852534

IUPACN-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,6-difluorophenyl)ethyl]acetamide
SMILESCC(=O)NC(Cc1nc(C2(N)CCCC2)no1)c1c(F)cccc1F
InChIInChI=1S/C17H20F2N4O2/c1-10(24)21-13(15-11(18)5-4-6-12(15)19)9-14-22-16(23-25-14)17(20)7-2-3-8-17/h4-6,13H,2-3,7-9,20H2,1H3,(H,21,24)
InChIKeyIYUPZJHTTXDHFM-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.50
Rot. Bonds5

About N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,6-difluorophenyl)ethyl]acetamide

N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,6-difluorophenyl)ethyl]acetamide (PubChem CID 120852534) has the molecular formula C17H20F2N4O2 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,6-difluorophenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,6-difluorophenyl)ethyl]acetamide
PubChem CID120852534
Molecular FormulaC17H20F2N4O2
Molecular Weight350.37 g/mol
Exact Mass350.16
IUPAC NameN-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,6-difluorophenyl)ethyl]acetamide
SMILESCC(=O)NC(Cc1nc(C2(N)CCCC2)no1)c1c(F)cccc1F
InChIInChI=1S/C17H20F2N4O2/c1-10(24)21-13(15-11(18)5-4-6-12(15)19)9-14-22-16(23-25-14)17(20)7-2-3-8-17/h4-6,13H,2-3,7-9,20H2,1H3,(H,21,24)
InChIKeyIYUPZJHTTXDHFM-UHFFFAOYSA-N
XLogP2.50
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide;hydrochloride
CID 120862787
[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylphenyl)ethyl]urea
CID 120853330
1-[5-[2-(3-fluorophenyl)propyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120856429
1-[5-[2-(2-fluorophenyl)sulfanylethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852025
1-[5-[2-(2,3-difluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859819
1-[5-[2-(4-fluorophenyl)propyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861354
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide;hydrochloride
CID 120854836
1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 114876400
1-[4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-2-fluorophenyl]ethanone
CID 120852660
N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide;hydrochloride
CID 120855723
N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]propanamide;hydrochloride
CID 120855395
1-[5-[2-[2-(trifluoromethyl)phenyl]propyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861553

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,6-difluorophenyl)ethyl]acetamide?
The IUPAC name of N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,6-difluorophenyl)ethyl]acetamide (CID 120852534) is N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,6-difluorophenyl)ethyl]acetamide.
What is the SMILES notation for N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,6-difluorophenyl)ethyl]acetamide?
The canonical SMILES for N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,6-difluorophenyl)ethyl]acetamide is CC(=O)NC(Cc1nc(C2(N)CCCC2)no1)c1c(F)cccc1F.
What is the InChIKey of N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,6-difluorophenyl)ethyl]acetamide?
The InChIKey is IYUPZJHTTXDHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O2/c1-10(24)21-13(15-11(18)5-4-6-12(15)19)9-14-22-16(23-25-14)17(20)7-2-3-8-17/h4-6,13H,2-3,7-9,20H2,1H3,(H,21,24).
What are the key properties of N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,6-difluorophenyl)ethyl]acetamide?
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,6-difluorophenyl)ethyl]acetamide has a molecular weight of 350.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,6-difluorophenyl)ethyl]acetamide is sourced from PubChem (CID 120852534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).