N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentanamine

C14H18N4O — CID 50971962

IUPACN-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentanamine
SMILESCC(NC1CCCC1)c1nc(-c2ccncc2)no1
InChIInChI=1S/C14H18N4O/c1-10(16-12-4-2-3-5-12)14-17-13(18-19-14)11-6-8-15-9-7-11/h6-10,12,16H,2-5H2,1H3
InChIKeyPLEOFQXLEMKBGW-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.72
Rot. Bonds4

About N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentanamine

N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentanamine (PubChem CID 50971962) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentanamine
PubChem CID50971962
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentanamine
SMILESCC(NC1CCCC1)c1nc(-c2ccncc2)no1
InChIInChI=1S/C14H18N4O/c1-10(16-12-4-2-3-5-12)14-17-13(18-19-14)11-6-8-15-9-7-11/h6-10,12,16H,2-5H2,1H3
InChIKeyPLEOFQXLEMKBGW-UHFFFAOYSA-N
XLogP2.72
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]thian-4-amine
CID 50953968
1-cyclohexyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 25421760
1-cyclohexyl-3-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 25421755
N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine
CID 28646598
5-butan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole
CID 91114628
N-[1-[3-[5-(3-fluorophenyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 71088334
N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexanecarboxamide
CID 6458644
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide
CID 25211295
N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine
CID 90326100
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide
CID 83280920
5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95953302
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 7449585

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentanamine?
The IUPAC name of N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentanamine (CID 50971962) is N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentanamine.
What is the SMILES notation for N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentanamine?
The canonical SMILES for N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentanamine is CC(NC1CCCC1)c1nc(-c2ccncc2)no1.
What is the InChIKey of N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentanamine?
The InChIKey is PLEOFQXLEMKBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(16-12-4-2-3-5-12)14-17-13(18-19-14)11-6-8-15-9-7-11/h6-10,12,16H,2-5H2,1H3.
What are the key properties of N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentanamine?
N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentanamine has a molecular weight of 258.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentanamine is sourced from PubChem (CID 50971962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).