N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoroaniline

C16H14FN3O — CID 110653357

IUPACN-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoroaniline
SMILESFc1ccccc1NCc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C16H14FN3O/c17-13-8-4-5-9-14(13)18-11-16-20-19-15(21-16)10-12-6-2-1-3-7-12/h1-9,18H,10-11H2
InChIKeySHNFHBLVLZTTOZ-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.41
Rot. Bonds5

About N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoroaniline

N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoroaniline (PubChem CID 110653357) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoroaniline.

Molecular Properties

Compound NameN-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoroaniline
PubChem CID110653357
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoroaniline
SMILESFc1ccccc1NCc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C16H14FN3O/c17-13-8-4-5-9-14(13)18-11-16-20-19-15(21-16)10-12-6-2-1-3-7-12/h1-9,18H,10-11H2
InChIKeySHNFHBLVLZTTOZ-UHFFFAOYSA-N
XLogP3.41
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-4-bromoaniline
CID 110653370
2-fluoro-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110651735
N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2,4,6-trimethylaniline
CID 110653353
N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-3-chloroaniline
CID 110653360
N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 55039594
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-2-iodoaniline
CID 122156366
N-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]acetamide
CID 71972931
N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968128
2-benzyl-5-(bromomethyl)-1,3,4-oxadiazole
CID 89104418
5-benzyl-N-(2,6-difluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393360
2,4-difluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 18870586
N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine
CID 110653325

Frequently Asked Questions

What is the IUPAC name of N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoroaniline?
The IUPAC name of N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoroaniline (CID 110653357) is N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoroaniline.
What is the SMILES notation for N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoroaniline?
The canonical SMILES for N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoroaniline is Fc1ccccc1NCc1nnc(Cc2ccccc2)o1.
What is the InChIKey of N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoroaniline?
The InChIKey is SHNFHBLVLZTTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-13-8-4-5-9-14(13)18-11-16-20-19-15(21-16)10-12-6-2-1-3-7-12/h1-9,18H,10-11H2.
What are the key properties of N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoroaniline?
N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoroaniline has a molecular weight of 283.31 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoroaniline is sourced from PubChem (CID 110653357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).