1-[5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

C16H18FN7O — CID 120868006

IUPAC1-[5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(/C(=C/c2ccc(F)cc2)n2nnnc2C)n1
InChIInChI=1S/C16H18FN7O/c1-10(18-3)8-15-19-16(25-21-15)14(24-11(2)20-22-23-24)9-12-4-6-13(17)7-5-12/h4-7,9-10,18H,8H2,1-3H3/b14-9-
InChIKeyJODCHRVGSFJDIG-ZROIWOOFSA-N
MW343.37 g/mol
LogP1.70
Rot. Bonds6

About 1-[5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

1-[5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (PubChem CID 120868006) has the molecular formula C16H18FN7O and a molecular weight of 343.37 g/mol. Its IUPAC name is 1-[5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
PubChem CID120868006
Molecular FormulaC16H18FN7O
Molecular Weight343.37 g/mol
Exact Mass343.16
IUPAC Name1-[5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(/C(=C/c2ccc(F)cc2)n2nnnc2C)n1
InChIInChI=1S/C16H18FN7O/c1-10(18-3)8-15-19-16(25-21-15)14(24-11(2)20-22-23-24)9-12-4-6-13(17)7-5-12/h4-7,9-10,18H,8H2,1-3H3/b14-9-
InChIKeyJODCHRVGSFJDIG-ZROIWOOFSA-N
XLogP1.70
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (CID 120868006) is 1-[5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is CNC(C)Cc1noc(/C(=C/c2ccc(F)cc2)n2nnnc2C)n1.
What is the InChIKey of 1-[5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The InChIKey is JODCHRVGSFJDIG-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H18FN7O/c1-10(18-3)8-15-19-16(25-21-15)14(24-11(2)20-22-23-24)9-12-4-6-13(17)7-5-12/h4-7,9-10,18H,8H2,1-3H3/b14-9-.
What are the key properties of 1-[5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
1-[5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine has a molecular weight of 343.37 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 120868006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).