2-(morpholin-4-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline

C18H20N4O2S — CID 55917812

IUPAC2-(morpholin-4-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
SMILESc1csc(-c2noc(CNc3ccccc3CN3CCOCC3)n2)c1
InChIInChI=1S/C18H20N4O2S/c1-2-5-15(14(4-1)13-22-7-9-23-10-8-22)19-12-17-20-18(21-24-17)16-6-3-11-25-16/h1-6,11,19H,7-10,12-13H2
InChIKeyAWBFKOQTXFASTL-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.24
Rot. Bonds6

About 2-(morpholin-4-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline

2-(morpholin-4-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline (PubChem CID 55917812) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
PubChem CID55917812
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name2-(morpholin-4-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
SMILESc1csc(-c2noc(CNc3ccccc3CN3CCOCC3)n2)c1
InChIInChI=1S/C18H20N4O2S/c1-2-5-15(14(4-1)13-22-7-9-23-10-8-22)19-12-17-20-18(21-24-17)16-6-3-11-25-16/h1-6,11,19H,7-10,12-13H2
InChIKeyAWBFKOQTXFASTL-UHFFFAOYSA-N
XLogP3.24
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one
CID 17399408
N-benzyl-2-(morpholin-4-ylmethyl)aniline
CID 56787279
N-(2-morpholin-4-ylethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 43045209
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55415179
5-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 25377720
N-(2-morpholin-4-ylethyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 39717880
5-[3-(4-benzylpiperazin-1-yl)propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55409511
5-(1,4-diazepan-1-ylmethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 43162484
3-propan-2-yl-5-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 43048660
1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111916465
(4-phenyloxan-4-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 55678412
[3-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752607

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The IUPAC name of 2-(morpholin-4-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline (CID 55917812) is 2-(morpholin-4-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline is c1csc(-c2noc(CNc3ccccc3CN3CCOCC3)n2)c1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The InChIKey is AWBFKOQTXFASTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-2-5-15(14(4-1)13-22-7-9-23-10-8-22)19-12-17-20-18(21-24-17)16-6-3-11-25-16/h1-6,11,19H,7-10,12-13H2.
What are the key properties of 2-(morpholin-4-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline?
2-(morpholin-4-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline has a molecular weight of 356.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline is sourced from PubChem (CID 55917812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).