1-[5-(4-phenoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C18H18N4O2 — CID 120850881

IUPAC1-[5-(4-phenoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(-c3cc(Oc4ccccc4)ccn3)n2)CCCC1
InChIInChI=1S/C18H18N4O2/c19-18(9-4-5-10-18)17-21-16(24-22-17)15-12-14(8-11-20-15)23-13-6-2-1-3-7-13/h1-3,6-8,11-12H,4-5,9-10,19H2
InChIKeyGQDFLISECPRBEC-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.65
Rot. Bonds4

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

1-[5-(4-phenoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120850881) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-[5-(4-phenoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-(4-phenoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120850881
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-[5-(4-phenoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(-c3cc(Oc4ccccc4)ccn3)n2)CCCC1
InChIInChI=1S/C18H18N4O2/c19-18(9-4-5-10-18)17-21-16(24-22-17)15-12-14(8-11-20-15)23-13-6-2-1-3-7-13/h1-3,6-8,11-12H,4-5,9-10,19H2
InChIKeyGQDFLISECPRBEC-UHFFFAOYSA-N
XLogP3.65
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-phenoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-(4-phenoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120850881) is 1-[5-(4-phenoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-(4-phenoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-(4-phenoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is NC1(c2noc(-c3cc(Oc4ccccc4)ccn3)n2)CCCC1.
What is the InChIKey of 1-[5-(4-phenoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is GQDFLISECPRBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c19-18(9-4-5-10-18)17-21-16(24-22-17)15-12-14(8-11-20-15)23-13-6-2-1-3-7-13/h1-3,6-8,11-12H,4-5,9-10,19H2.
What are the key properties of 1-[5-(4-phenoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-(4-phenoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 322.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-phenoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120850881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).