N-[(Z)-1-diazenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-1-en-2-yl]-2-fluoro-N-methylaniline

C18H16FN5O — CID 135246270

IUPACN-[(Z)-1-diazenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-1-en-2-yl]-2-fluoro-N-methylaniline
SMILES[H]/N=N/C(=C(/C)N(C)c1ccccc1F)c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H16FN5O/c1-12(24(2)15-11-7-6-10-14(15)19)16(22-20)18-21-17(23-25-18)13-8-4-3-5-9-13/h3-11,20H,1-2H3/b16-12-,22-20+
InChIKeyWIWRMSXNCKVHHA-DQKXRHKBSA-N
MW337.36 g/mol
LogP4.73
Rot. Bonds5

About N-[(Z)-1-diazenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-1-en-2-yl]-2-fluoro-N-methylaniline

N-[(Z)-1-diazenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-1-en-2-yl]-2-fluoro-N-methylaniline (PubChem CID 135246270) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is N-[(Z)-1-diazenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-1-en-2-yl]-2-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[(Z)-1-diazenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-1-en-2-yl]-2-fluoro-N-methylaniline
PubChem CID135246270
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC NameN-[(Z)-1-diazenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-1-en-2-yl]-2-fluoro-N-methylaniline
SMILES[H]/N=N/C(=C(/C)N(C)c1ccccc1F)c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H16FN5O/c1-12(24(2)15-11-7-6-10-14(15)19)16(22-20)18-21-17(23-25-18)13-8-4-3-5-9-13/h3-11,20H,1-2H3/b16-12-,22-20+
InChIKeyWIWRMSXNCKVHHA-DQKXRHKBSA-N
XLogP4.73
TPSA78.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-diazenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-1-en-2-yl]-2-fluoro-N-methylaniline?
The IUPAC name of N-[(Z)-1-diazenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-1-en-2-yl]-2-fluoro-N-methylaniline (CID 135246270) is N-[(Z)-1-diazenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-1-en-2-yl]-2-fluoro-N-methylaniline.
What is the SMILES notation for N-[(Z)-1-diazenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-1-en-2-yl]-2-fluoro-N-methylaniline?
The canonical SMILES for N-[(Z)-1-diazenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-1-en-2-yl]-2-fluoro-N-methylaniline is [H]/N=N/C(=C(/C)N(C)c1ccccc1F)c1nc(-c2ccccc2)no1.
What is the InChIKey of N-[(Z)-1-diazenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-1-en-2-yl]-2-fluoro-N-methylaniline?
The InChIKey is WIWRMSXNCKVHHA-DQKXRHKBSA-N. The full InChI is InChI=1S/C18H16FN5O/c1-12(24(2)15-11-7-6-10-14(15)19)16(22-20)18-21-17(23-25-18)13-8-4-3-5-9-13/h3-11,20H,1-2H3/b16-12-,22-20+.
What are the key properties of N-[(Z)-1-diazenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-1-en-2-yl]-2-fluoro-N-methylaniline?
N-[(Z)-1-diazenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-1-en-2-yl]-2-fluoro-N-methylaniline has a molecular weight of 337.36 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-diazenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-1-en-2-yl]-2-fluoro-N-methylaniline is sourced from PubChem (CID 135246270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).