4-[2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]morpholine

C14H24N4O2 — CID 95765084

IUPAC4-[2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]morpholine
SMILESCCc1nc([C@@H]2CCCN2CCN2CCOCC2)no1
InChIInChI=1S/C14H24N4O2/c1-2-13-15-14(16-20-13)12-4-3-5-18(12)7-6-17-8-10-19-11-9-17/h12H,2-11H2,1H3/t12-/m0/s1
InChIKeyXDVBWLVILNTHIH-LBPRGKRZSA-N
MW280.37 g/mol
LogP1.10
Rot. Bonds5

About 4-[2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]morpholine

4-[2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]morpholine (PubChem CID 95765084) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]morpholine
PubChem CID95765084
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-[2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]morpholine
SMILESCCc1nc([C@@H]2CCCN2CCN2CCOCC2)no1
InChIInChI=1S/C14H24N4O2/c1-2-13-15-14(16-20-13)12-4-3-5-18(12)7-6-17-8-10-19-11-9-17/h12H,2-11H2,1H3/t12-/m0/s1
InChIKeyXDVBWLVILNTHIH-LBPRGKRZSA-N
XLogP1.10
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]morpholine (CID 95765084) is 4-[2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]morpholine is CCc1nc([C@@H]2CCCN2CCN2CCOCC2)no1.
What is the InChIKey of 4-[2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]morpholine?
The InChIKey is XDVBWLVILNTHIH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-2-13-15-14(16-20-13)12-4-3-5-18(12)7-6-17-8-10-19-11-9-17/h12H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of 4-[2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]morpholine?
4-[2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]morpholine has a molecular weight of 280.37 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]morpholine is sourced from PubChem (CID 95765084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).