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

C17H19ClN4O2 — CID 120851440

IUPAC1-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCc1onc(-c2ccccc2)c1-c1nc(C2(N)CCCC2)no1.Cl
InChIInChI=1S/C17H18N4O2.ClH/c1-11-13(14(20-22-11)12-7-3-2-4-8-12)15-19-16(21-23-15)17(18)9-5-6-10-17;/h2-4,7-8H,5-6,9-10,18H2,1H3;1H
InChIKeyQWQKVOOSPJCCFU-UHFFFAOYSA-N
MW346.82 g/mol
LogP3.85
Rot. Bonds3

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

1-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120851440) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 1-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120851440
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name1-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCc1onc(-c2ccccc2)c1-c1nc(C2(N)CCCC2)no1.Cl
InChIInChI=1S/C17H18N4O2.ClH/c1-11-13(14(20-22-11)12-7-3-2-4-8-12)15-19-16(21-23-15)17(18)9-5-6-10-17;/h2-4,7-8H,5-6,9-10,18H2,1H3;1H
InChIKeyQWQKVOOSPJCCFU-UHFFFAOYSA-N
XLogP3.85
TPSA90.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride with MolForge

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Related Compounds

1-[5-(2-methyl-6-phenyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850455
1-[5-(2-phenyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856801
1-[5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 114560827
1-[5-(4-bromo-3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859003
[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol
CID 58833256
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853935
1-[5-(1,5-dimethylpyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857026
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylbenzamide
CID 120852599
1-[5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 166216352
1-[5-[3-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853378
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;hydrochloride
CID 120855657
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854803

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120851440) is 1-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is Cc1onc(-c2ccccc2)c1-c1nc(C2(N)CCCC2)no1.Cl.
What is the InChIKey of 1-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is QWQKVOOSPJCCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2.ClH/c1-11-13(14(20-22-11)12-7-3-2-4-8-12)15-19-16(21-23-15)17(18)9-5-6-10-17;/h2-4,7-8H,5-6,9-10,18H2,1H3;1H.
What are the key properties of 1-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 346.82 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120851440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).