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

C19H21N3O2S — CID 77079897

IUPACN-methyl-1-[5-(oxolan-2-yl)thiophen-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCN(Cc1nnc(-c2ccccc2)o1)Cc1ccc(C2CCCO2)s1
InChIInChI=1S/C19H21N3O2S/c1-22(12-15-9-10-17(25-15)16-8-5-11-23-16)13-18-20-21-19(24-18)14-6-3-2-4-7-14/h2-4,6-7,9-10,16H,5,8,11-13H2,1H3
InChIKeyNTMTYVKXRFBBGO-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.28
Rot. Bonds6

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

N-methyl-1-[5-(oxolan-2-yl)thiophen-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine (PubChem CID 77079897) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-methyl-1-[5-(oxolan-2-yl)thiophen-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(oxolan-2-yl)thiophen-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
PubChem CID77079897
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-methyl-1-[5-(oxolan-2-yl)thiophen-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCN(Cc1nnc(-c2ccccc2)o1)Cc1ccc(C2CCCO2)s1
InChIInChI=1S/C19H21N3O2S/c1-22(12-15-9-10-17(25-15)16-8-5-11-23-16)13-18-20-21-19(24-18)14-6-3-2-4-7-14/h2-4,6-7,9-10,16H,5,8,11-13H2,1H3
InChIKeyNTMTYVKXRFBBGO-UHFFFAOYSA-N
XLogP4.28
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 77083888
2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]cyclohexan-1-ol
CID 102636527
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
CID 8802346
2-hydroxypropane-1,2,3-tricarboxylic acid;N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(5-propylthiophen-2-yl)methanamine
CID 171670387
N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride
CID 171326059
N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 162418406
N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-amine
CID 63641957
N,N-dimethyl-2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 34161725
(2S)-1-[4-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 95352032
1-(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 18094588
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[(2S)-oxolan-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 51952589
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]oxolane-2-carboxamide
CID 110320373

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(oxolan-2-yl)thiophen-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-[5-(oxolan-2-yl)thiophen-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine (CID 77079897) is N-methyl-1-[5-(oxolan-2-yl)thiophen-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(oxolan-2-yl)thiophen-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-[5-(oxolan-2-yl)thiophen-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine is CN(Cc1nnc(-c2ccccc2)o1)Cc1ccc(C2CCCO2)s1.
What is the InChIKey of N-methyl-1-[5-(oxolan-2-yl)thiophen-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The InChIKey is NTMTYVKXRFBBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-22(12-15-9-10-17(25-15)16-8-5-11-23-16)13-18-20-21-19(24-18)14-6-3-2-4-7-14/h2-4,6-7,9-10,16H,5,8,11-13H2,1H3.
What are the key properties of N-methyl-1-[5-(oxolan-2-yl)thiophen-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
N-methyl-1-[5-(oxolan-2-yl)thiophen-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine has a molecular weight of 355.46 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(oxolan-2-yl)thiophen-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 77079897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).