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

C15H11ClFN3O — CID 114452239

IUPACN-[(3-chloro-5-fluorophenyl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
SMILESFc1cc(Cl)cc(CNc2cccc(-c3nnco3)c2)c1
InChIInChI=1S/C15H11ClFN3O/c16-12-4-10(5-13(17)7-12)8-18-14-3-1-2-11(6-14)15-20-19-9-21-15/h1-7,9,18H,8H2
InChIKeyFXEZBSKDHIVFSD-UHFFFAOYSA-N
MW303.72 g/mol
LogP4.14
Rot. Bonds4

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

N-[(3-chloro-5-fluorophenyl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 114452239) has the molecular formula C15H11ClFN3O and a molecular weight of 303.72 g/mol. Its IUPAC name is N-[(3-chloro-5-fluorophenyl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[(3-chloro-5-fluorophenyl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID114452239
Molecular FormulaC15H11ClFN3O
Molecular Weight303.72 g/mol
Exact Mass303.06
IUPAC NameN-[(3-chloro-5-fluorophenyl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
SMILESFc1cc(Cl)cc(CNc2cccc(-c3nnco3)c2)c1
InChIInChI=1S/C15H11ClFN3O/c16-12-4-10(5-13(17)7-12)8-18-14-3-1-2-11(6-14)15-20-19-9-21-15/h1-7,9,18H,8H2
InChIKeyFXEZBSKDHIVFSD-UHFFFAOYSA-N
XLogP4.14
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorothiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 79419872
4-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]benzonitrile
CID 28713696
3-(1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)aniline
CID 28713579
N-[(1-methylpyrrol-3-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 66397871
N'-tert-butyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]ethane-1,2-diamine
CID 107444720
[5-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]furan-2-yl]methanol
CID 64579745
3-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662478
N-[(4-bromothiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 28972991
N-[(3,5-dichlorophenyl)methyl]-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 122157141
[3-[(3-chloro-5-fluorophenyl)methylamino]phenyl]urea
CID 114452582
N-[(3-methylthiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 28713589
N-(3-methoxy-3-methylbutyl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 106675096

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline (CID 114452239) is N-[(3-chloro-5-fluorophenyl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-[(3-chloro-5-fluorophenyl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-[(3-chloro-5-fluorophenyl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline is Fc1cc(Cl)cc(CNc2cccc(-c3nnco3)c2)c1.
What is the InChIKey of N-[(3-chloro-5-fluorophenyl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is FXEZBSKDHIVFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O/c16-12-4-10(5-13(17)7-12)8-18-14-3-1-2-11(6-14)15-20-19-9-21-15/h1-7,9,18H,8H2.
What are the key properties of N-[(3-chloro-5-fluorophenyl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
N-[(3-chloro-5-fluorophenyl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 303.72 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-fluorophenyl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 114452239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).