N-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine

C19H23N3O3S — CID 42929568

IUPACN-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCOc1ccc(OCc2noc(CNC(c3cccs3)C(C)C)n2)cc1
InChIInChI=1S/C19H23N3O3S/c1-13(2)19(16-5-4-10-26-16)20-11-18-21-17(22-25-18)12-24-15-8-6-14(23-3)7-9-15/h4-10,13,19-20H,11-12H2,1-3H3
InChIKeyUOFSRGBYOFLTQH-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.21
Rot. Bonds9

About N-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine

N-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine (PubChem CID 42929568) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
PubChem CID42929568
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCOc1ccc(OCc2noc(CNC(c3cccs3)C(C)C)n2)cc1
InChIInChI=1S/C19H23N3O3S/c1-13(2)19(16-5-4-10-26-16)20-11-18-21-17(22-25-18)12-24-15-8-6-14(23-3)7-9-15/h4-10,13,19-20H,11-12H2,1-3H3
InChIKeyUOFSRGBYOFLTQH-UHFFFAOYSA-N
XLogP4.21
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 162676758
4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide
CID 118712652
N-({3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl}methyl)-2-(thiophen-2-yl)acetamide
CID 49677318
N-((3-((4-methoxyphenoxy)methyl)-1,2,4-oxadiazol-5-yl)methyl)thiophene-2-carboxamide
CID 49677321
3-[(2-Fluorophenoxy)methyl]-1-{[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine
CID 45188945
4-[2-[Methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]ethoxy]phenol
CID 72131646
N-(2-{[(4-fluorophenoxy)acetyl]amino}ethyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole-5-carboxamide
CID 5303695
5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 17481948
3-[(4-fluorophenoxy)methyl]-5-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole
CID 17486118
3-[(4-fluorophenoxy)methyl]-5-[[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,2,4-oxadiazole
CID 25564377
3-[(4-fluorophenoxy)methyl]-5-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,2,4-oxadiazole
CID 25564382
5-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 26010821

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine (CID 42929568) is N-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine is COc1ccc(OCc2noc(CNC(c3cccs3)C(C)C)n2)cc1.
What is the InChIKey of N-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is UOFSRGBYOFLTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13(2)19(16-5-4-10-26-16)20-11-18-21-17(22-25-18)12-24-15-8-6-14(23-3)7-9-15/h4-10,13,19-20H,11-12H2,1-3H3.
What are the key properties of N-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
N-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 373.48 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 42929568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).