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

C23H20FN3O — CID 15990090

IUPAC3-ethyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]aniline
SMILESCCc1cccc(NC(c2ccccc2)c2nnc(-c3ccccc3F)o2)c1
InChIInChI=1S/C23H20FN3O/c1-2-16-9-8-12-18(15-16)25-21(17-10-4-3-5-11-17)23-27-26-22(28-23)19-13-6-7-14-20(19)24/h3-15,21,25H,2H2,1H3
InChIKeyCXXNLUJZWPNVAB-UHFFFAOYSA-N
MW373.43 g/mol
LogP5.64
Rot. Bonds6

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

3-ethyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]aniline (PubChem CID 15990090) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is 3-ethyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]aniline.

Molecular Properties

Compound Name3-ethyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]aniline
PubChem CID15990090
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC Name3-ethyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]aniline
SMILESCCc1cccc(NC(c2ccccc2)c2nnc(-c3ccccc3F)o2)c1
InChIInChI=1S/C23H20FN3O/c1-2-16-9-8-12-18(15-16)25-21(17-10-4-3-5-11-17)23-27-26-22(28-23)19-13-6-7-14-20(19)24/h3-15,21,25H,2H2,1H3
InChIKeyCXXNLUJZWPNVAB-UHFFFAOYSA-N
XLogP5.64
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.43
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]aniline?
The IUPAC name of 3-ethyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]aniline (CID 15990090) is 3-ethyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]aniline.
What is the SMILES notation for 3-ethyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]aniline?
The canonical SMILES for 3-ethyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]aniline is CCc1cccc(NC(c2ccccc2)c2nnc(-c3ccccc3F)o2)c1.
What is the InChIKey of 3-ethyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]aniline?
The InChIKey is CXXNLUJZWPNVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c1-2-16-9-8-12-18(15-16)25-21(17-10-4-3-5-11-17)23-27-26-22(28-23)19-13-6-7-14-20(19)24/h3-15,21,25H,2H2,1H3.
What are the key properties of 3-ethyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]aniline?
3-ethyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]aniline has a molecular weight of 373.43 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]aniline is sourced from PubChem (CID 15990090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).