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

C17H17N3O2 — CID 3159822

IUPAC2-ethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
SMILESCCOc1ccccc1NCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H17N3O2/c1-2-21-15-11-7-6-10-14(15)18-12-16-19-20-17(22-16)13-8-4-3-5-9-13/h3-11,18H,2,12H2,1H3
InChIKeyJCJPTUCWFRBBEP-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.75
Rot. Bonds6

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

2-ethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline (PubChem CID 3159822) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-ethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-ethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
PubChem CID3159822
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-ethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
SMILESCCOc1ccccc1NCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H17N3O2/c1-2-21-15-11-7-6-10-14(15)18-12-16-19-20-17(22-16)13-8-4-3-5-9-13/h3-11,18H,2,12H2,1H3
InChIKeyJCJPTUCWFRBBEP-UHFFFAOYSA-N
XLogP3.75
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The IUPAC name of 2-ethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline (CID 3159822) is 2-ethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline.
What is the SMILES notation for 2-ethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The canonical SMILES for 2-ethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline is CCOc1ccccc1NCc1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-ethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The InChIKey is JCJPTUCWFRBBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-2-21-15-11-7-6-10-14(15)18-12-16-19-20-17(22-16)13-8-4-3-5-9-13/h3-11,18H,2,12H2,1H3.
What are the key properties of 2-ethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
2-ethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline has a molecular weight of 295.34 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline is sourced from PubChem (CID 3159822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).