N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]ethanamine

C14H19N3OS — CID 74238053

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]ethanamine
SMILESCCN(Cc1cccc(SC)c1)Cc1noc(C)n1
InChIInChI=1S/C14H19N3OS/c1-4-17(10-14-15-11(2)18-16-14)9-12-6-5-7-13(8-12)19-3/h5-8H,4,9-10H2,1-3H3
InChIKeyVMGSGZWFRCWKMD-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.12
Rot. Bonds6

About N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]ethanamine

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]ethanamine (PubChem CID 74238053) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]ethanamine
PubChem CID74238053
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]ethanamine
SMILESCCN(Cc1cccc(SC)c1)Cc1noc(C)n1
InChIInChI=1S/C14H19N3OS/c1-4-17(10-14-15-11(2)18-16-14)9-12-6-5-7-13(8-12)19-3/h5-8H,4,9-10H2,1-3H3
InChIKeyVMGSGZWFRCWKMD-UHFFFAOYSA-N
XLogP3.12
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methyl]ethanamine
CID 66347855
N-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 46990537
N-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methyl]propan-1-amine
CID 66349428
N-[(3-chlorophenyl)methyl]-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 112829057
N,2-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
CID 72899464
1-ethyl-3-methylsulfanylbenzene
CID 14944133
2-[[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one
CID 72881161
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 74247763
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[3-(furan-2-yl)phenyl]methyl]ethanamine
CID 77086142
N-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 77086927
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine
CID 51078845
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46534337

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]ethanamine (CID 74238053) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]ethanamine is CCN(Cc1cccc(SC)c1)Cc1noc(C)n1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]ethanamine?
The InChIKey is VMGSGZWFRCWKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-17(10-14-15-11(2)18-16-14)9-12-6-5-7-13(8-12)19-3/h5-8H,4,9-10H2,1-3H3.
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]ethanamine?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]ethanamine has a molecular weight of 277.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]ethanamine is sourced from PubChem (CID 74238053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).