8-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-1,4-benzoxazin-3-one;hydrochloride

C15H17ClN4O3 — CID 120857319

IUPAC8-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-1,4-benzoxazin-3-one;hydrochloride
SMILESCl.NC1(c2noc(-c3cccc4c3OCC(=O)N4)n2)CCCC1
InChIInChI=1S/C15H16N4O3.ClH/c16-15(6-1-2-7-15)14-18-13(22-19-14)9-4-3-5-10-12(9)21-8-11(20)17-10;/h3-5H,1-2,6-8,16H2,(H,17,20);1H
InChIKeyULARUTDQGFWIIX-UHFFFAOYSA-N
MW336.78 g/mol
LogP2.22
Rot. Bonds2

About 8-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-1,4-benzoxazin-3-one;hydrochloride

8-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-1,4-benzoxazin-3-one;hydrochloride (PubChem CID 120857319) has the molecular formula C15H17ClN4O3 and a molecular weight of 336.78 g/mol. Its IUPAC name is 8-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-1,4-benzoxazin-3-one;hydrochloride.

Molecular Properties

Compound Name8-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-1,4-benzoxazin-3-one;hydrochloride
PubChem CID120857319
Molecular FormulaC15H17ClN4O3
Molecular Weight336.78 g/mol
Exact Mass336.10
IUPAC Name8-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-1,4-benzoxazin-3-one;hydrochloride
SMILESCl.NC1(c2noc(-c3cccc4c3OCC(=O)N4)n2)CCCC1
InChIInChI=1S/C15H16N4O3.ClH/c16-15(6-1-2-7-15)14-18-13(22-19-14)9-4-3-5-10-12(9)21-8-11(20)17-10;/h3-5H,1-2,6-8,16H2,(H,17,20);1H
InChIKeyULARUTDQGFWIIX-UHFFFAOYSA-N
XLogP2.22
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-1,4-benzoxazin-3-one;hydrochloride with MolForge

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Related Compounds

1-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850184
1-[5-(2-chloro-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 81462151
4-[(1S,3S)-2,2-dimethyl-3-[5-(3-oxo-4H-1,4-benzoxazin-8-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]benzenesulfonamide
CID 130448485
1-[5-(2-pyrazol-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851364
1-[5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 137031670
1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 63078918
1-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 106689441
1-[5-(2-pyrazol-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859634
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 120855325
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120863837
1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860494
1-[5-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 167952103

Frequently Asked Questions

What is the IUPAC name of 8-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-1,4-benzoxazin-3-one;hydrochloride?
The IUPAC name of 8-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-1,4-benzoxazin-3-one;hydrochloride (CID 120857319) is 8-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-1,4-benzoxazin-3-one;hydrochloride.
What is the SMILES notation for 8-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-1,4-benzoxazin-3-one;hydrochloride?
The canonical SMILES for 8-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-1,4-benzoxazin-3-one;hydrochloride is Cl.NC1(c2noc(-c3cccc4c3OCC(=O)N4)n2)CCCC1.
What is the InChIKey of 8-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-1,4-benzoxazin-3-one;hydrochloride?
The InChIKey is ULARUTDQGFWIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3.ClH/c16-15(6-1-2-7-15)14-18-13(22-19-14)9-4-3-5-10-12(9)21-8-11(20)17-10;/h3-5H,1-2,6-8,16H2,(H,17,20);1H.
What are the key properties of 8-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-1,4-benzoxazin-3-one;hydrochloride?
8-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-1,4-benzoxazin-3-one;hydrochloride has a molecular weight of 336.78 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-1,4-benzoxazin-3-one;hydrochloride is sourced from PubChem (CID 120857319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).