N-[1-(4-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline

C16H14FN3O — CID 43206403

IUPACN-[1-(4-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCC(Nc1ccc(-c2nnco2)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O/c1-11(12-2-6-14(17)7-3-12)19-15-8-4-13(5-9-15)16-20-18-10-21-16/h2-11,19H,1H3
InChIKeyBXYPPIGEIYEKRF-UHFFFAOYSA-N
MW283.31 g/mol
LogP4.05
Rot. Bonds4

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

N-[1-(4-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 43206403) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID43206403
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCC(Nc1ccc(-c2nnco2)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O/c1-11(12-2-6-14(17)7-3-12)19-15-8-4-13(5-9-15)16-20-18-10-21-16/h2-11,19H,1H3
InChIKeyBXYPPIGEIYEKRF-UHFFFAOYSA-N
XLogP4.05
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 8528203
N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 43179245
4-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115928974
2-[4-(1,3,4-oxadiazol-2-yl)anilino]propanoic acid
CID 66172483
N-(3-methoxybutan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline
CID 115928972
3-(1,3,4-oxadiazol-2-yl)-N-(1-phenylethyl)aniline
CID 43206434
3-(1,3,4-oxadiazol-2-yl)-N-(1-pyridin-4-ylethyl)aniline
CID 43206444
N-[1-(4-fluorophenyl)ethyl]-4-iodoaniline
CID 43088233
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 83118930
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43770525
N-[1-(3-bromophenyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206435
3-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol
CID 43206455

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline (CID 43206403) is N-[1-(4-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline is CC(Nc1ccc(-c2nnco2)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is BXYPPIGEIYEKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-11(12-2-6-14(17)7-3-12)19-15-8-4-13(5-9-15)16-20-18-10-21-16/h2-11,19H,1H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
N-[1-(4-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 283.31 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 43206403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).