4-propan-2-yl-2-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine

C14H24N4O2 — CID 79658286

IUPAC4-propan-2-yl-2-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCC(C)N1CCOC(c2noc(CC3CCNC3)n2)C1
InChIInChI=1S/C14H24N4O2/c1-10(2)18-5-6-19-12(9-18)14-16-13(20-17-14)7-11-3-4-15-8-11/h10-12,15H,3-9H2,1-2H3
InChIKeyPGEOWFISPSKQLH-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.00
Rot. Bonds4

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

4-propan-2-yl-2-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 79658286) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-propan-2-yl-2-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name4-propan-2-yl-2-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID79658286
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-propan-2-yl-2-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCC(C)N1CCOC(c2noc(CC3CCNC3)n2)C1
InChIInChI=1S/C14H24N4O2/c1-10(2)18-5-6-19-12(9-18)14-16-13(20-17-14)7-11-3-4-15-8-11/h10-12,15H,3-9H2,1-2H3
InChIKeyPGEOWFISPSKQLH-UHFFFAOYSA-N
XLogP1.00
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 4-propan-2-yl-2-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine (CID 79658286) is 4-propan-2-yl-2-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 4-propan-2-yl-2-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 4-propan-2-yl-2-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine is CC(C)N1CCOC(c2noc(CC3CCNC3)n2)C1.
What is the InChIKey of 4-propan-2-yl-2-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is PGEOWFISPSKQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10(2)18-5-6-19-12(9-18)14-16-13(20-17-14)7-11-3-4-15-8-11/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 4-propan-2-yl-2-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine?
4-propan-2-yl-2-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 280.37 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 79658286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).