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

C11H11F2N3O — CID 84587294

IUPACN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-difluoroaniline
SMILESCCc1nc(CNc2ccc(F)c(F)c2)no1
InChIInChI=1S/C11H11F2N3O/c1-2-11-15-10(16-17-11)6-14-7-3-4-8(12)9(13)5-7/h3-5,14H,2,6H2,1H3
InChIKeyLZXOUBWMWYWYKE-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.52
Rot. Bonds4

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

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-difluoroaniline (PubChem CID 84587294) has the molecular formula C11H11F2N3O and a molecular weight of 239.22 g/mol. Its IUPAC name is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-difluoroaniline.

Molecular Properties

Compound NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-difluoroaniline
PubChem CID84587294
Molecular FormulaC11H11F2N3O
Molecular Weight239.22 g/mol
Exact Mass239.09
IUPAC NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-difluoroaniline
SMILESCCc1nc(CNc2ccc(F)c(F)c2)no1
InChIInChI=1S/C11H11F2N3O/c1-2-11-15-10(16-17-11)6-14-7-3-4-8(12)9(13)5-7/h3-5,14H,2,6H2,1H3
InChIKeyLZXOUBWMWYWYKE-UHFFFAOYSA-N
XLogP2.52
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-difluoroaniline?
The IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-difluoroaniline (CID 84587294) is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-difluoroaniline.
What is the SMILES notation for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-difluoroaniline?
The canonical SMILES for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-difluoroaniline is CCc1nc(CNc2ccc(F)c(F)c2)no1.
What is the InChIKey of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-difluoroaniline?
The InChIKey is LZXOUBWMWYWYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-2-11-15-10(16-17-11)6-14-7-3-4-8(12)9(13)5-7/h3-5,14H,2,6H2,1H3.
What are the key properties of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-difluoroaniline?
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-difluoroaniline has a molecular weight of 239.22 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-difluoroaniline is sourced from PubChem (CID 84587294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).