2-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(2-fluorophenyl)acetamide;hydrochloride

C21H22ClFN4O3 — CID 120851079

IUPAC2-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(2-fluorophenyl)acetamide;hydrochloride
SMILESCl.NC1(c2noc(-c3ccccc3OCC(=O)Nc3ccccc3F)n2)CCCC1
InChIInChI=1S/C21H21FN4O3.ClH/c22-15-8-2-3-9-16(15)24-18(27)13-28-17-10-4-1-7-14(17)19-25-20(26-29-19)21(23)11-5-6-12-21;/h1-4,7-10H,5-6,11-13,23H2,(H,24,27);1H
InChIKeyBQSUYXKGXDEUQX-UHFFFAOYSA-N
MW432.88 g/mol
LogP4.04
Rot. Bonds6

About 2-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(2-fluorophenyl)acetamide;hydrochloride

2-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(2-fluorophenyl)acetamide;hydrochloride (PubChem CID 120851079) has the molecular formula C21H22ClFN4O3 and a molecular weight of 432.88 g/mol. Its IUPAC name is 2-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(2-fluorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(2-fluorophenyl)acetamide;hydrochloride
PubChem CID120851079
Molecular FormulaC21H22ClFN4O3
Molecular Weight432.88 g/mol
Exact Mass432.14
IUPAC Name2-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(2-fluorophenyl)acetamide;hydrochloride
SMILESCl.NC1(c2noc(-c3ccccc3OCC(=O)Nc3ccccc3F)n2)CCCC1
InChIInChI=1S/C21H21FN4O3.ClH/c22-15-8-2-3-9-16(15)24-18(27)13-28-17-10-4-1-7-14(17)19-25-20(26-29-19)21(23)11-5-6-12-21;/h1-4,7-10H,5-6,11-13,23H2,(H,24,27);1H
InChIKeyBQSUYXKGXDEUQX-UHFFFAOYSA-N
XLogP4.04
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.88
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(2-fluorophenyl)acetamide;hydrochloride with MolForge

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Related Compounds

1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851944
1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860112
1-[5-[2-(cyclopropylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851520
1-[5-(2-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863570
1-[5-[2-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853362
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 120855325
N-(2,3-dimethylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745798
1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852042
1-[5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859779
1-[5-(2-chloro-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 81462151
N-(2-methoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745967
N-(2-ethoxyphenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746036

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(2-fluorophenyl)acetamide;hydrochloride?
The IUPAC name of 2-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(2-fluorophenyl)acetamide;hydrochloride (CID 120851079) is 2-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(2-fluorophenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(2-fluorophenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(2-fluorophenyl)acetamide;hydrochloride is Cl.NC1(c2noc(-c3ccccc3OCC(=O)Nc3ccccc3F)n2)CCCC1.
What is the InChIKey of 2-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(2-fluorophenyl)acetamide;hydrochloride?
The InChIKey is BQSUYXKGXDEUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3.ClH/c22-15-8-2-3-9-16(15)24-18(27)13-28-17-10-4-1-7-14(17)19-25-20(26-29-19)21(23)11-5-6-12-21;/h1-4,7-10H,5-6,11-13,23H2,(H,24,27);1H.
What are the key properties of 2-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(2-fluorophenyl)acetamide;hydrochloride?
2-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(2-fluorophenyl)acetamide;hydrochloride has a molecular weight of 432.88 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(2-fluorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 120851079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).