1-[5-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C18H20ClFN4O2 — CID 120854950

IUPAC1-[5-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(CCc3ncc(-c4ccccc4F)o3)n2)CCCC1
InChIInChI=1S/C18H19FN4O2.ClH/c19-13-6-2-1-5-12(13)14-11-21-15(24-14)7-8-16-22-17(23-25-16)18(20)9-3-4-10-18;/h1-2,5-6,11H,3-4,7-10,20H2;1H
InChIKeyOIAAIWSRVOATKX-UHFFFAOYSA-N
MW378.84 g/mol
LogP3.80
Rot. Bonds5

About 1-[5-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120854950) has the molecular formula C18H20ClFN4O2 and a molecular weight of 378.84 g/mol. Its IUPAC name is 1-[5-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120854950
Molecular FormulaC18H20ClFN4O2
Molecular Weight378.84 g/mol
Exact Mass378.13
IUPAC Name1-[5-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(CCc3ncc(-c4ccccc4F)o3)n2)CCCC1
InChIInChI=1S/C18H19FN4O2.ClH/c19-13-6-2-1-5-12(13)14-11-21-15(24-14)7-8-16-22-17(23-25-16)18(20)9-3-4-10-18;/h1-2,5-6,11H,3-4,7-10,20H2;1H
InChIKeyOIAAIWSRVOATKX-UHFFFAOYSA-N
XLogP3.80
TPSA90.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852115
1-[5-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860259
1-[5-[2-(2-fluorophenyl)sulfanylethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852025
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65178588
1-[5-[2-(2,3-difluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859819
1-[5-[2-(1,3-benzoxazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853951
1-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61352710
1-[5-[2-(4-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859276
1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851524
2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione;hydrochloride
CID 120850991
1-[5-[2-(benzimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852984
1-(4-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119374553

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120854950) is 1-[5-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is Cl.NC1(c2noc(CCc3ncc(-c4ccccc4F)o3)n2)CCCC1.
What is the InChIKey of 1-[5-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is OIAAIWSRVOATKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2.ClH/c19-13-6-2-1-5-12(13)14-11-21-15(24-14)7-8-16-22-17(23-25-16)18(20)9-3-4-10-18;/h1-2,5-6,11H,3-4,7-10,20H2;1H.
What are the key properties of 1-[5-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 378.84 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120854950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).