1-[(2S)-oxolan-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine

C19H21N3O2S — CID 39973516

IUPAC1-[(2S)-oxolan-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine
SMILESc1ccc(-c2noc(CN(Cc3cccs3)C[C@@H]3CCCO3)n2)cc1
InChIInChI=1S/C19H21N3O2S/c1-2-6-15(7-3-1)19-20-18(24-21-19)14-22(12-16-8-4-10-23-16)13-17-9-5-11-25-17/h1-3,5-7,9,11,16H,4,8,10,12-14H2/t16-/m0/s1
InChIKeyJZTGBNCAFYMOFU-INIZCTEOSA-N
MW355.46 g/mol
LogP3.98
Rot. Bonds7

About 1-[(2S)-oxolan-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine

1-[(2S)-oxolan-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 39973516) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-[(2S)-oxolan-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(2S)-oxolan-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine
PubChem CID39973516
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name1-[(2S)-oxolan-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine
SMILESc1ccc(-c2noc(CN(Cc3cccs3)C[C@@H]3CCCO3)n2)cc1
InChIInChI=1S/C19H21N3O2S/c1-2-6-15(7-3-1)19-20-18(24-21-19)14-22(12-16-8-4-10-23-16)13-17-9-5-11-25-17/h1-3,5-7,9,11,16H,4,8,10,12-14H2/t16-/m0/s1
InChIKeyJZTGBNCAFYMOFU-INIZCTEOSA-N
XLogP3.98
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 60565455
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2R)-oxolan-2-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 94541380
N-(furan-2-ylmethyl)-1-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 47537063
1-[(2S)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)-N-(thiophen-2-ylmethyl)methanamine
CID 95904603
N-[(3-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 49309251
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 47034356
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 45193579
2-[[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]phenol
CID 78820897
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 51964028
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
CID 78807506
2-[[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 30264144
2-N-(2-methylphenyl)-6-[[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine
CID 17415919

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-oxolan-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-[(2S)-oxolan-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine (CID 39973516) is 1-[(2S)-oxolan-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[(2S)-oxolan-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-[(2S)-oxolan-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine is c1ccc(-c2noc(CN(Cc3cccs3)C[C@@H]3CCCO3)n2)cc1.
What is the InChIKey of 1-[(2S)-oxolan-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is JZTGBNCAFYMOFU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-2-6-15(7-3-1)19-20-18(24-21-19)14-22(12-16-8-4-10-23-16)13-17-9-5-11-25-17/h1-3,5-7,9,11,16H,4,8,10,12-14H2/t16-/m0/s1.
What are the key properties of 1-[(2S)-oxolan-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine?
1-[(2S)-oxolan-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 355.46 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-oxolan-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 39973516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).