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

C13H22N4O2 — CID 104900713

IUPAC4-propan-2-yl-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine
SMILESCC(C)N1CCOC(c2noc([C@@H]3CCCN3)n2)C1
InChIInChI=1S/C13H22N4O2/c1-9(2)17-6-7-18-11(8-17)12-15-13(19-16-12)10-4-3-5-14-10/h9-11,14H,3-8H2,1-2H3/t10-,11?/m0/s1
InChIKeyOYHVQVLNCZWAHT-VUWPPUDQSA-N
MW266.34 g/mol
LogP1.28
Rot. Bonds3

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

4-propan-2-yl-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 104900713) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-propan-2-yl-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name4-propan-2-yl-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID104900713
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-propan-2-yl-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine
SMILESCC(C)N1CCOC(c2noc([C@@H]3CCCN3)n2)C1
InChIInChI=1S/C13H22N4O2/c1-9(2)17-6-7-18-11(8-17)12-15-13(19-16-12)10-4-3-5-14-10/h9-11,14H,3-8H2,1-2H3/t10-,11?/m0/s1
InChIKeyOYHVQVLNCZWAHT-VUWPPUDQSA-N
XLogP1.28
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)-4-propan-2-ylmorpholine
CID 79657123
4-methyl-2-[5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine
CID 104915033
2-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylmorpholine
CID 79657282
3-(1-propan-2-ylpyrrolidin-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 115080930
1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 79657430
1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanone
CID 79665811
3-methyl-1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 79665247
5-piperidin-2-yl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 115080796
3-[5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 104915036
4-propan-2-yl-2-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 79658286
1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81161835
3-(2-methylcyclopropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900655

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 4-propan-2-yl-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine (CID 104900713) is 4-propan-2-yl-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 4-propan-2-yl-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 4-propan-2-yl-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine is CC(C)N1CCOC(c2noc([C@@H]3CCCN3)n2)C1.
What is the InChIKey of 4-propan-2-yl-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is OYHVQVLNCZWAHT-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9(2)17-6-7-18-11(8-17)12-15-13(19-16-12)10-4-3-5-14-10/h9-11,14H,3-8H2,1-2H3/t10-,11?/m0/s1.
What are the key properties of 4-propan-2-yl-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine?
4-propan-2-yl-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 266.34 g/mol, XLogP of 1.28, 3 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-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 104900713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).