(3S)-4-cyclopentyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine

C16H20N4O2 — CID 100659561

IUPAC(3S)-4-cyclopentyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine
SMILESc1cncc(-c2noc([C@@H]3COCCN3C3CCCC3)n2)c1
InChIInChI=1S/C16H20N4O2/c1-2-6-13(5-1)20-8-9-21-11-14(20)16-18-15(19-22-16)12-4-3-7-17-10-12/h3-4,7,10,13-14H,1-2,5-6,8-9,11H2/t14-/m0/s1
InChIKeyZPLLXXDLEFOGRR-AWEZNQCLSA-N
MW300.36 g/mol
LogP2.45
Rot. Bonds3

About (3S)-4-cyclopentyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine

(3S)-4-cyclopentyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine (PubChem CID 100659561) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (3S)-4-cyclopentyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine.

Molecular Properties

Compound Name(3S)-4-cyclopentyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine
PubChem CID100659561
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(3S)-4-cyclopentyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine
SMILESc1cncc(-c2noc([C@@H]3COCCN3C3CCCC3)n2)c1
InChIInChI=1S/C16H20N4O2/c1-2-6-13(5-1)20-8-9-21-11-14(20)16-18-15(19-22-16)12-4-3-7-17-10-12/h3-4,7,10,13-14H,1-2,5-6,8-9,11H2/t14-/m0/s1
InChIKeyZPLLXXDLEFOGRR-AWEZNQCLSA-N
XLogP2.45
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3S)-4-cyclopentyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine with MolForge

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Launch Full Analysis

Related Compounds

4-cyclopentyl-3-[3-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 154758374
(3S)-4-cyclopentyl-3-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 100660221
4-cyclopentyl-3-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 136543155
2-cyclopentyl-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 95110779
phenyl-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 92573988
5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 99611541
5-[(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95110503
trans-(1R,2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 96803162
(6-methyl-3-pyridinyl)-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 53192007
(6-methyl-3-pyridinyl)-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95110782
(3R,5S)-1-(cyclopropylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 26743994
4-piperidin-4-yl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine
CID 162798803

Frequently Asked Questions

What is the IUPAC name of (3S)-4-cyclopentyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine?
The IUPAC name of (3S)-4-cyclopentyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine (CID 100659561) is (3S)-4-cyclopentyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine.
What is the SMILES notation for (3S)-4-cyclopentyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine?
The canonical SMILES for (3S)-4-cyclopentyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine is c1cncc(-c2noc([C@@H]3COCCN3C3CCCC3)n2)c1.
What is the InChIKey of (3S)-4-cyclopentyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine?
The InChIKey is ZPLLXXDLEFOGRR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-6-13(5-1)20-8-9-21-11-14(20)16-18-15(19-22-16)12-4-3-7-17-10-12/h3-4,7,10,13-14H,1-2,5-6,8-9,11H2/t14-/m0/s1.
What are the key properties of (3S)-4-cyclopentyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine?
(3S)-4-cyclopentyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine has a molecular weight of 300.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-cyclopentyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine is sourced from PubChem (CID 100659561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).