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

C16H16ClN3OS — CID 112829057

IUPACN-[(3-chlorophenyl)methyl]-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCCN(Cc1cccc(Cl)c1)Cc1noc(-c2ccsc2)n1
InChIInChI=1S/C16H16ClN3OS/c1-2-20(9-12-4-3-5-14(17)8-12)10-15-18-16(21-19-15)13-6-7-22-11-13/h3-8,11H,2,9-10H2,1H3
InChIKeyWVOCOCZJAIKRNC-UHFFFAOYSA-N
MW333.84 g/mol
LogP4.47
Rot. Bonds6

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

N-[(3-chlorophenyl)methyl]-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (PubChem CID 112829057) has the molecular formula C16H16ClN3OS and a molecular weight of 333.84 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
PubChem CID112829057
Molecular FormulaC16H16ClN3OS
Molecular Weight333.84 g/mol
Exact Mass333.07
IUPAC NameN-[(3-chlorophenyl)methyl]-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCCN(Cc1cccc(Cl)c1)Cc1noc(-c2ccsc2)n1
InChIInChI=1S/C16H16ClN3OS/c1-2-20(9-12-4-3-5-14(17)8-12)10-15-18-16(21-19-15)13-6-7-22-11-13/h3-8,11H,2,9-10H2,1H3
InChIKeyWVOCOCZJAIKRNC-UHFFFAOYSA-N
XLogP4.47
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(3-chlorophenyl)methyl]-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine with MolForge

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Related Compounds

N-benzyl-1-phenyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 112812417
N-butyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine
CID 112815205
2-[propyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 60775128
N-[(3-chlorophenyl)methyl]-N-ethylethanamine
CID 21325551
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl (E)-3-(3-chlorophenyl)prop-2-enoate
CID 24674847
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 47002355
2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61334504
3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline
CID 43459137
N-[(3,4-dimethoxyphenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 134001018
N-propyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine
CID 66215907
6-chloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
CID 38963586
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]ethanamine
CID 74238053

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (CID 112829057) is N-[(3-chlorophenyl)methyl]-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is CCN(Cc1cccc(Cl)c1)Cc1noc(-c2ccsc2)n1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The InChIKey is WVOCOCZJAIKRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3OS/c1-2-20(9-12-4-3-5-14(17)8-12)10-15-18-16(21-19-15)13-6-7-22-11-13/h3-8,11H,2,9-10H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
N-[(3-chlorophenyl)methyl]-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine has a molecular weight of 333.84 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 112829057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).