N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline

C22H18FN3O — CID 22432979

IUPACN-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline
SMILESCc1cccc(NC(c2nnc(-c3ccccc3)o2)c2ccccc2F)c1
InChIInChI=1S/C22H18FN3O/c1-15-8-7-11-17(14-15)24-20(18-12-5-6-13-19(18)23)22-26-25-21(27-22)16-9-3-2-4-10-16/h2-14,20,24H,1H3
InChIKeyHQBLUFNOCJXMMT-UHFFFAOYSA-N
MW359.40 g/mol
LogP5.39
Rot. Bonds5

About N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline

N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline (PubChem CID 22432979) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline.

Molecular Properties

Compound NameN-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline
PubChem CID22432979
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC NameN-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline
SMILESCc1cccc(NC(c2nnc(-c3ccccc3)o2)c2ccccc2F)c1
InChIInChI=1S/C22H18FN3O/c1-15-8-7-11-17(14-15)24-20(18-12-5-6-13-19(18)23)22-26-25-21(27-22)16-9-3-2-4-10-16/h2-14,20,24H,1H3
InChIKeyHQBLUFNOCJXMMT-UHFFFAOYSA-N
XLogP5.39
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.40
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline?
The IUPAC name of N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline (CID 22432979) is N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline.
What is the SMILES notation for N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline?
The canonical SMILES for N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline is Cc1cccc(NC(c2nnc(-c3ccccc3)o2)c2ccccc2F)c1.
What is the InChIKey of N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline?
The InChIKey is HQBLUFNOCJXMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c1-15-8-7-11-17(14-15)24-20(18-12-5-6-13-19(18)23)22-26-25-21(27-22)16-9-3-2-4-10-16/h2-14,20,24H,1H3.
What are the key properties of N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline?
N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline has a molecular weight of 359.40 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline is sourced from PubChem (CID 22432979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).