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

C15H16N4OS — CID 61043972

IUPAC1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCc1csc(CNCc2nc(Cc3ccccc3)no2)n1
InChIInChI=1S/C15H16N4OS/c1-11-10-21-15(17-11)9-16-8-14-18-13(19-20-14)7-12-5-3-2-4-6-12/h2-6,10,16H,7-9H2,1H3
InChIKeyQODCUAHFXNPDLJ-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.72
Rot. Bonds6

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

1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 61043972) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID61043972
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCc1csc(CNCc2nc(Cc3ccccc3)no2)n1
InChIInChI=1S/C15H16N4OS/c1-11-10-21-15(17-11)9-16-8-14-18-13(19-20-14)7-12-5-3-2-4-6-12/h2-6,10,16H,7-9H2,1H3
InChIKeyQODCUAHFXNPDLJ-UHFFFAOYSA-N
XLogP2.72
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine with MolForge

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Related Compounds

1-{[3-(Diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine
CID 16190233
1-[3-(3-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 16188757
1-[3-(2-chlorobenzyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 16190416
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-{[3-(2-fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methylethanamine
CID 16190110
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 70783084
1-[3-(3-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
CID 29085192
N-(4-(2-oxo-2-(((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)amino)ethyl)thiazol-2-yl)-2-phenylacetamide
CID 45497643
1-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
CID 26411429
N-[(2,4-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide
CID 49666673
N~2~-(4-fluorobenzyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide
CID 53167414
N-[(2-Fluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-YL)-1,3-thiazole-2-carboxamide
CID 53167425
4-(3-Ethyl-1,2,4-oxadiazol-5-YL)-N-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide
CID 53167532

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine (CID 61043972) is 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine is Cc1csc(CNCc2nc(Cc3ccccc3)no2)n1.
What is the InChIKey of 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is QODCUAHFXNPDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-11-10-21-15(17-11)9-16-8-14-18-13(19-20-14)7-12-5-3-2-4-6-12/h2-6,10,16H,7-9H2,1H3.
What are the key properties of 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 300.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 61043972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).