N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline

C15H19N7O — CID 47066552

IUPACN-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
SMILESCCCCc1noc(CNc2cc(-n3cnnn3)ccc2C)n1
InChIInChI=1S/C15H19N7O/c1-3-4-5-14-18-15(23-19-14)9-16-13-8-12(7-6-11(13)2)22-10-17-20-21-22/h6-8,10,16H,3-5,9H2,1-2H3
InChIKeyXYTRNKBMCKYMNT-UHFFFAOYSA-N
MW313.37 g/mol
LogP2.31
Rot. Bonds7

About N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline

N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline (PubChem CID 47066552) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
PubChem CID47066552
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC NameN-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
SMILESCCCCc1noc(CNc2cc(-n3cnnn3)ccc2C)n1
InChIInChI=1S/C15H19N7O/c1-3-4-5-14-18-15(23-19-14)9-16-13-8-12(7-6-11(13)2)22-10-17-20-21-22/h6-8,10,16H,3-5,9H2,1-2H3
InChIKeyXYTRNKBMCKYMNT-UHFFFAOYSA-N
XLogP2.31
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline?
The IUPAC name of N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline (CID 47066552) is N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline is CCCCc1noc(CNc2cc(-n3cnnn3)ccc2C)n1.
What is the InChIKey of N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline?
The InChIKey is XYTRNKBMCKYMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-3-4-5-14-18-15(23-19-14)9-16-13-8-12(7-6-11(13)2)22-10-17-20-21-22/h6-8,10,16H,3-5,9H2,1-2H3.
What are the key properties of N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline?
N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline has a molecular weight of 313.37 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 47066552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).