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

C15H15N3OS — CID 78790965

IUPACN-methyl-1-phenyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCN(Cc1ccccc1)Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C15H15N3OS/c1-18(10-12-6-3-2-4-7-12)11-14-16-17-15(19-14)13-8-5-9-20-13/h2-9H,10-11H2,1H3
InChIKeyFHZSLZPBAUKSKP-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.43
Rot. Bonds5

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

N-methyl-1-phenyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine (PubChem CID 78790965) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-methyl-1-phenyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-phenyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
PubChem CID78790965
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-methyl-1-phenyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCN(Cc1ccccc1)Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C15H15N3OS/c1-18(10-12-6-3-2-4-7-12)11-14-16-17-15(19-14)13-8-5-9-20-13/h2-9H,10-11H2,1H3
InChIKeyFHZSLZPBAUKSKP-UHFFFAOYSA-N
XLogP3.43
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,4-Oxadiazole, 2-(4-methylphenyl)-5-(2-thienyl)-
CID 745354
2-[(5-Thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]phthalazin-1-one
CID 9507085
2-(Benzylsulfanyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole
CID 646210
2-(4-Fluoro-benzylsulfanyl)-5-thiophen-2-yl-[1,3,4]oxadiazole
CID 644516
2-(2-Fluoro-benzylsulfanyl)-5-thiophen-2-yl-[1,3,4]oxadiazole
CID 647044
2-[(E)-2-(4-fluorophenyl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 5840375
2-(2-Phenylvinyl)-5-(2-thienyl)-1,3,4-oxadiazole
CID 5866333
2-[2-(4-Methylphenyl)vinyl]-5-(2-thienyl)-1,3,4-oxadiazole
CID 6104810
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-methylthiophene-2-carboxamide
CID 8004816
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 60482707
1-(2-chloro-6-fluorophenyl)-N-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 145986340
2-Benzyl-5-thiophen-2-yl-1,3,4-oxadiazole
CID 49958663

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-phenyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine (CID 78790965) is N-methyl-1-phenyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-phenyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-phenyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine is CN(Cc1ccccc1)Cc1nnc(-c2cccs2)o1.
What is the InChIKey of N-methyl-1-phenyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The InChIKey is FHZSLZPBAUKSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-18(10-12-6-3-2-4-7-12)11-14-16-17-15(19-14)13-8-5-9-20-13/h2-9H,10-11H2,1H3.
What are the key properties of N-methyl-1-phenyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
N-methyl-1-phenyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine has a molecular weight of 285.37 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 78790965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).