N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)aniline

C12H15N3O — CID 22345896

IUPACN,N-diethyl-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCCN(CC)c1ccc(-c2nnco2)cc1
InChIInChI=1S/C12H15N3O/c1-3-15(4-2)11-7-5-10(6-8-11)12-14-13-9-16-12/h5-9H,3-4H2,1-2H3
InChIKeyZLZOGCHGMMCHST-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.58
Rot. Bonds4

About N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)aniline

N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 22345896) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN,N-diethyl-4-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID22345896
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN,N-diethyl-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCCN(CC)c1ccc(-c2nnco2)cc1
InChIInChI=1S/C12H15N3O/c1-3-15(4-2)11-7-5-10(6-8-11)12-14-13-9-16-12/h5-9H,3-4H2,1-2H3
InChIKeyZLZOGCHGMMCHST-UHFFFAOYSA-N
XLogP2.58
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)aniline (CID 22345896) is N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)aniline is CCN(CC)c1ccc(-c2nnco2)cc1.
What is the InChIKey of N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is ZLZOGCHGMMCHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-15(4-2)11-7-5-10(6-8-11)12-14-13-9-16-12/h5-9H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)aniline?
N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 217.27 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 22345896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).