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

C18H20N4O2 — CID 120852115

IUPAC1-[5-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(CCc3ncc(-c4ccccc4)o3)n2)CCCC1
InChIInChI=1S/C18H20N4O2/c19-18(10-4-5-11-18)17-21-16(24-22-17)9-8-15-20-12-14(23-15)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11,19H2
InChIKeyJYRSPMVXYRLFQM-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.24
Rot. Bonds5

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

1-[5-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120852115) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[5-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120852115
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-[5-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(CCc3ncc(-c4ccccc4)o3)n2)CCCC1
InChIInChI=1S/C18H20N4O2/c19-18(10-4-5-11-18)17-21-16(24-22-17)9-8-15-20-12-14(23-15)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11,19H2
InChIKeyJYRSPMVXYRLFQM-UHFFFAOYSA-N
XLogP3.24
TPSA90.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.24
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]cyclobutan-1-amine;hydrochloride
CID 120860259
1-[5-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854950
1-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61352710
1-[5-[2-(1,3-benzoxazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853951
1-[5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856620
1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851524
1-[5-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856659
1-[5-[2-(benzimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852984
1-[5-[2-(4-bromophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120857488
1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859760
1-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 62504830
1-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 79212212

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120852115) is 1-[5-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is NC1(c2noc(CCc3ncc(-c4ccccc4)o3)n2)CCCC1.
What is the InChIKey of 1-[5-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is JYRSPMVXYRLFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c19-18(10-4-5-11-18)17-21-16(24-22-17)9-8-15-20-12-14(23-15)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11,19H2.
What are the key properties of 1-[5-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 324.38 g/mol, XLogP of 3.24, 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-phenyl-1,3-oxazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120852115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).