1-[5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C16H15ClN4O2 — CID 120852015

IUPAC1-[5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(-c3cc(-c4ccccc4Cl)on3)n2)CCCC1
InChIInChI=1S/C16H15ClN4O2/c17-11-6-2-1-5-10(11)13-9-12(20-22-13)14-19-15(21-23-14)16(18)7-3-4-8-16/h1-2,5-6,9H,3-4,7-8,18H2
InChIKeyTVCKZSFHTCYJHU-UHFFFAOYSA-N
MW330.78 g/mol
LogP3.77
Rot. Bonds3

About 1-[5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120852015) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is 1-[5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120852015
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC Name1-[5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(-c3cc(-c4ccccc4Cl)on3)n2)CCCC1
InChIInChI=1S/C16H15ClN4O2/c17-11-6-2-1-5-10(11)13-9-12(20-22-13)14-19-15(21-23-14)16(18)7-3-4-8-16/h1-2,5-6,9H,3-4,7-8,18H2
InChIKeyTVCKZSFHTCYJHU-UHFFFAOYSA-N
XLogP3.77
TPSA90.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine with MolForge

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Related Compounds

1-[5-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861080
1-[5-(5-pyridin-4-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864199
1-[5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859779
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351934
1-[5-(2-phenyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856801
1-[5-(2-chloro-5-iodophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860016
1-[5-[2-(2-methylphenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859836
1-[5-(2-chloro-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 81462151
1-[5-(2-chloro-5-methylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851298
1-[5-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120856187
1-[5-(3-chloro-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860795
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863388

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120852015) is 1-[5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is NC1(c2noc(-c3cc(-c4ccccc4Cl)on3)n2)CCCC1.
What is the InChIKey of 1-[5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is TVCKZSFHTCYJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c17-11-6-2-1-5-10(11)13-9-12(20-22-13)14-19-15(21-23-14)16(18)7-3-4-8-16/h1-2,5-6,9H,3-4,7-8,18H2.
What are the key properties of 1-[5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 330.78 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120852015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).