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

C15H19N3OS — CID 80723518

IUPACN-[(2-methylthiolan-2-yl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCC1(CNCc2nnc(-c3ccccc3)o2)CCCS1
InChIInChI=1S/C15H19N3OS/c1-15(8-5-9-20-15)11-16-10-13-17-18-14(19-13)12-6-3-2-4-7-12/h2-4,6-7,16H,5,8-11H2,1H3
InChIKeyMIJVLRIIFQUZMA-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.11
Rot. Bonds5

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

N-[(2-methylthiolan-2-yl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine (PubChem CID 80723518) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(2-methylthiolan-2-yl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-methylthiolan-2-yl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
PubChem CID80723518
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[(2-methylthiolan-2-yl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCC1(CNCc2nnc(-c3ccccc3)o2)CCCS1
InChIInChI=1S/C15H19N3OS/c1-15(8-5-9-20-15)11-16-10-13-17-18-14(19-13)12-6-3-2-4-7-12/h2-4,6-7,16H,5,8-11H2,1H3
InChIKeyMIJVLRIIFQUZMA-UHFFFAOYSA-N
XLogP3.11
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80726258
1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine
CID 113485458
2,2,3,3-tetramethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine
CID 79359225
1-(2-methyl-1,3-thiazol-5-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528702
N-[(2-methylthiolan-2-yl)methyl]-1-quinolin-2-ylmethanamine
CID 80528780
1-(5-ethylthiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528559
1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 18870633
2,2-difluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 115406813
1-(3-methyl-2-pyridinyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 63305449
N-[(2,5-dimethoxy-2H-furan-5-yl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
CID 18870641
N-[(2-methylthiolan-2-yl)methyl]-1-pyrazin-2-ylmethanamine
CID 80723291
N-[(2-methylthiolan-2-yl)methyl]-1-(2,3,6-trichlorophenyl)methanamine
CID 80726014

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine?
The IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine (CID 80723518) is N-[(2-methylthiolan-2-yl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine.
What is the SMILES notation for N-[(2-methylthiolan-2-yl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine?
The canonical SMILES for N-[(2-methylthiolan-2-yl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine is CC1(CNCc2nnc(-c3ccccc3)o2)CCCS1.
What is the InChIKey of N-[(2-methylthiolan-2-yl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine?
The InChIKey is MIJVLRIIFQUZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-15(8-5-9-20-15)11-16-10-13-17-18-14(19-13)12-6-3-2-4-7-12/h2-4,6-7,16H,5,8-11H2,1H3.
What are the key properties of N-[(2-methylthiolan-2-yl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine?
N-[(2-methylthiolan-2-yl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine has a molecular weight of 289.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiolan-2-yl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine is sourced from PubChem (CID 80723518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).