1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol

C15H22N4O4 — CID 111916477

IUPAC1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCN(Cc1nc(-c2ccoc2)no1)CC(O)CN1CCOCC1
InChIInChI=1S/C15H22N4O4/c1-18(8-13(20)9-19-3-6-21-7-4-19)10-14-16-15(17-23-14)12-2-5-22-11-12/h2,5,11,13,20H,3-4,6-10H2,1H3
InChIKeyKFYMJJZOAKAOED-UHFFFAOYSA-N
MW322.37 g/mol
LogP0.45
Rot. Bonds7

About 1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol

1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 111916477) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
PubChem CID111916477
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCN(Cc1nc(-c2ccoc2)no1)CC(O)CN1CCOCC1
InChIInChI=1S/C15H22N4O4/c1-18(8-13(20)9-19-3-6-21-7-4-19)10-14-16-15(17-23-14)12-2-5-22-11-12/h2,5,11,13,20H,3-4,6-10H2,1H3
InChIKeyKFYMJJZOAKAOED-UHFFFAOYSA-N
XLogP0.45
TPSA88.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol with MolForge

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Related Compounds

1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111916465
1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916464
1-[[2-(dimethylamino)phenyl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916375
1-[2-methylpropyl-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 46014617
1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111799491
1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 42883936
1-[methyl(propyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110909710
1-[benzyl-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 46150931
1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111423789
1-[(3,4-difluorophenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 110885371
1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916449
1-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111916427

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol (CID 111916477) is 1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol is CN(Cc1nc(-c2ccoc2)no1)CC(O)CN1CCOCC1.
What is the InChIKey of 1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is KFYMJJZOAKAOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-18(8-13(20)9-19-3-6-21-7-4-19)10-14-16-15(17-23-14)12-2-5-22-11-12/h2,5,11,13,20H,3-4,6-10H2,1H3.
What are the key properties of 1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 322.37 g/mol, XLogP of 0.45, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 111916477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).