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

C15H22N4O3S — CID 111916465

IUPAC1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
SMILESCN(Cc1nc(-c2cccs2)no1)CC(O)CN1CCOCC1
InChIInChI=1S/C15H22N4O3S/c1-18(9-12(20)10-19-4-6-21-7-5-19)11-14-16-15(17-22-14)13-3-2-8-23-13/h2-3,8,12,20H,4-7,9-11H2,1H3
InChIKeyRXCKJYVBCIFCEP-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.92
Rot. Bonds7

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

1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 111916465) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
PubChem CID111916465
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
SMILESCN(Cc1nc(-c2cccs2)no1)CC(O)CN1CCOCC1
InChIInChI=1S/C15H22N4O3S/c1-18(9-12(20)10-19-4-6-21-7-5-19)11-14-16-15(17-22-14)13-3-2-8-23-13/h2-3,8,12,20H,4-7,9-11H2,1H3
InChIKeyRXCKJYVBCIFCEP-UHFFFAOYSA-N
XLogP0.92
TPSA74.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916477
1-[[2-(dimethylamino)phenyl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916375
1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916449
1-[N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-2-ol
CID 51106348
2-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 55096844
1-[4-[[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 86895118
1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916464
(2R)-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-2-ol
CID 111488051
N-(2-morpholin-4-ylethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 43045209
1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 42883936
1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111799491
2-(morpholin-4-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 55917812

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol (CID 111916465) is 1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol is CN(Cc1nc(-c2cccs2)no1)CC(O)CN1CCOCC1.
What is the InChIKey of 1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is RXCKJYVBCIFCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-18(9-12(20)10-19-4-6-21-7-5-19)11-14-16-15(17-22-14)13-3-2-8-23-13/h2-3,8,12,20H,4-7,9-11H2,1H3.
What are the key properties of 1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 338.43 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 111916465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).