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

C18H24ClFN4O2 — CID 120856435

IUPACN-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(C)C(=O)Nc1ccc(F)c(-c2nc(C3(N)CCCC3)no2)c1.Cl
InChIInChI=1S/C18H23FN4O2.ClH/c1-17(2,3)16(24)21-11-6-7-13(19)12(10-11)14-22-15(23-25-14)18(20)8-4-5-9-18;/h6-7,10H,4-5,8-9,20H2,1-3H3,(H,21,24);1H
InChIKeyMGHWZDUFCBCDNU-UHFFFAOYSA-N
MW382.87 g/mol
LogP4.01
Rot. Bonds3

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

N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride (PubChem CID 120856435) has the molecular formula C18H24ClFN4O2 and a molecular weight of 382.87 g/mol. Its IUPAC name is N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride
PubChem CID120856435
Molecular FormulaC18H24ClFN4O2
Molecular Weight382.87 g/mol
Exact Mass382.16
IUPAC NameN-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(C)C(=O)Nc1ccc(F)c(-c2nc(C3(N)CCCC3)no2)c1.Cl
InChIInChI=1S/C18H23FN4O2.ClH/c1-17(2,3)16(24)21-11-6-7-13(19)12(10-11)14-22-15(23-25-14)18(20)8-4-5-9-18;/h6-7,10H,4-5,8-9,20H2,1-3H3,(H,21,24);1H
InChIKeyMGHWZDUFCBCDNU-UHFFFAOYSA-N
XLogP4.01
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 120855325
1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352515
1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860206
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-fluorobenzenesulfonamide
CID 120855146
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354112
1-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850187
1-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61353693
1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61353726
1-[5-(2-fluoro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860029
1-[5-(2-chloro-4-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850939
1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-phenylurea
CID 120856143
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenyl]-4-methoxybenzamide
CID 120857322

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride (CID 120856435) is N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride is CC(C)(C)C(=O)Nc1ccc(F)c(-c2nc(C3(N)CCCC3)no2)c1.Cl.
What is the InChIKey of N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is MGHWZDUFCBCDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2.ClH/c1-17(2,3)16(24)21-11-6-7-13(19)12(10-11)14-22-15(23-25-14)18(20)8-4-5-9-18;/h6-7,10H,4-5,8-9,20H2,1-3H3,(H,21,24);1H.
What are the key properties of N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride?
N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 382.87 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 120856435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).