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

C17H15F2N3O — CID 75503013

IUPACN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-4-(3-fluorophenyl)aniline
SMILESCCc1nnc(CNc2ccc(-c3cccc(F)c3)c(F)c2)o1
InChIInChI=1S/C17H15F2N3O/c1-2-16-21-22-17(23-16)10-20-13-6-7-14(15(19)9-13)11-4-3-5-12(18)8-11/h3-9,20H,2,10H2,1H3
InChIKeyLOUGUXBHPQYLQD-UHFFFAOYSA-N
MW315.32 g/mol
LogP4.19
Rot. Bonds5

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

N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-4-(3-fluorophenyl)aniline (PubChem CID 75503013) has the molecular formula C17H15F2N3O and a molecular weight of 315.32 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-4-(3-fluorophenyl)aniline.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-4-(3-fluorophenyl)aniline
PubChem CID75503013
Molecular FormulaC17H15F2N3O
Molecular Weight315.32 g/mol
Exact Mass315.12
IUPAC NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-4-(3-fluorophenyl)aniline
SMILESCCc1nnc(CNc2ccc(-c3cccc(F)c3)c(F)c2)o1
InChIInChI=1S/C17H15F2N3O/c1-2-16-21-22-17(23-16)10-20-13-6-7-14(15(19)9-13)11-4-3-5-12(18)8-11/h3-9,20H,2,10H2,1H3
InChIKeyLOUGUXBHPQYLQD-UHFFFAOYSA-N
XLogP4.19
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-4-(3-fluorophenyl)aniline?
The IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-4-(3-fluorophenyl)aniline (CID 75503013) is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-4-(3-fluorophenyl)aniline.
What is the SMILES notation for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-4-(3-fluorophenyl)aniline?
The canonical SMILES for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-4-(3-fluorophenyl)aniline is CCc1nnc(CNc2ccc(-c3cccc(F)c3)c(F)c2)o1.
What is the InChIKey of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-4-(3-fluorophenyl)aniline?
The InChIKey is LOUGUXBHPQYLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O/c1-2-16-21-22-17(23-16)10-20-13-6-7-14(15(19)9-13)11-4-3-5-12(18)8-11/h3-9,20H,2,10H2,1H3.
What are the key properties of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-4-(3-fluorophenyl)aniline?
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-4-(3-fluorophenyl)aniline has a molecular weight of 315.32 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-4-(3-fluorophenyl)aniline is sourced from PubChem (CID 75503013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).