N-methyl-1-[5-[3-(tetrazol-1-yl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine

C11H13N7OS — CID 120865132

IUPACN-methyl-1-[5-[3-(tetrazol-1-yl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCNC(C)Cc1noc(-c2sccc2-n2cnnn2)n1
InChIInChI=1S/C11H13N7OS/c1-7(12-2)5-9-14-11(19-15-9)10-8(3-4-20-10)18-6-13-16-17-18/h3-4,6-7,12H,5H2,1-2H3
InChIKeyNPUHAEYUMUXWDA-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.92
Rot. Bonds5

About N-methyl-1-[5-[3-(tetrazol-1-yl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine

N-methyl-1-[5-[3-(tetrazol-1-yl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 120865132) has the molecular formula C11H13N7OS and a molecular weight of 291.34 g/mol. Its IUPAC name is N-methyl-1-[5-[3-(tetrazol-1-yl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[5-[3-(tetrazol-1-yl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID120865132
Molecular FormulaC11H13N7OS
Molecular Weight291.34 g/mol
Exact Mass291.09
IUPAC NameN-methyl-1-[5-[3-(tetrazol-1-yl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCNC(C)Cc1noc(-c2sccc2-n2cnnn2)n1
InChIInChI=1S/C11H13N7OS/c1-7(12-2)5-9-14-11(19-15-9)10-8(3-4-20-10)18-6-13-16-17-18/h3-4,6-7,12H,5H2,1-2H3
InChIKeyNPUHAEYUMUXWDA-UHFFFAOYSA-N
XLogP0.92
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-methyl-1-[5-[2-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120865123
N-methyl-1-[5-(3-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120868338
N-methyl-1-[5-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120865580
N-cycloheptyl-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide
CID 120865234
N-methyl-1-[5-(2-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 166237340
N-ethyl-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylaniline;hydrochloride
CID 120868223
N-methyl-1-[5-(1-methyl-5-phenylpyrrol-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120868941
N-methyl-1-[5-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120869514
1-[5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867444
1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866179
1-[5-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866776
1-[5-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 167914466

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[3-(tetrazol-1-yl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[5-[3-(tetrazol-1-yl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 120865132) is N-methyl-1-[5-[3-(tetrazol-1-yl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[5-[3-(tetrazol-1-yl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[5-[3-(tetrazol-1-yl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine is CNC(C)Cc1noc(-c2sccc2-n2cnnn2)n1.
What is the InChIKey of N-methyl-1-[5-[3-(tetrazol-1-yl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is NPUHAEYUMUXWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7OS/c1-7(12-2)5-9-14-11(19-15-9)10-8(3-4-20-10)18-6-13-16-17-18/h3-4,6-7,12H,5H2,1-2H3.
What are the key properties of N-methyl-1-[5-[3-(tetrazol-1-yl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
N-methyl-1-[5-[3-(tetrazol-1-yl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 291.34 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[3-(tetrazol-1-yl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 120865132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).