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

C22H18FN3O — CID 22432971

IUPACN-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline
SMILESCc1cccc(NC(c2ccc(F)cc2)c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C22H18FN3O/c1-15-6-5-9-19(14-15)24-20(16-10-12-18(23)13-11-16)22-26-25-21(27-22)17-7-3-2-4-8-17/h2-14,20,24H,1H3
InChIKeyYYEDOLPTYLGQQD-UHFFFAOYSA-N
MW359.40 g/mol
LogP5.39
Rot. Bonds5

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

N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline (PubChem CID 22432971) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline
PubChem CID22432971
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC NameN-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline
SMILESCc1cccc(NC(c2ccc(F)cc2)c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C22H18FN3O/c1-15-6-5-9-19(14-15)24-20(16-10-12-18(23)13-11-16)22-26-25-21(27-22)17-7-3-2-4-8-17/h2-14,20,24H,1H3
InChIKeyYYEDOLPTYLGQQD-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-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline?
The IUPAC name of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline (CID 22432971) is N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline.
What is the SMILES notation for N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline?
The canonical SMILES for N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline is Cc1cccc(NC(c2ccc(F)cc2)c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline?
The InChIKey is YYEDOLPTYLGQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c1-15-6-5-9-19(14-15)24-20(16-10-12-18(23)13-11-16)22-26-25-21(27-22)17-7-3-2-4-8-17/h2-14,20,24H,1H3.
What are the key properties of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline?
N-[(4-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-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline is sourced from PubChem (CID 22432971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).