N,3-dimethyl-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline

C15H19N3O2 — CID 146567941

IUPACN,3-dimethyl-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCNc1ccc(-c2nc(C3CCOCC3)no2)c(C)c1
InChIInChI=1S/C15H19N3O2/c1-10-9-12(16-2)3-4-13(10)15-17-14(18-20-15)11-5-7-19-8-6-11/h3-4,9,11,16H,5-8H2,1-2H3
InChIKeyXUSRRCVXNZGIHK-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.98
Rot. Bonds3

About N,3-dimethyl-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline

N,3-dimethyl-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 146567941) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N,3-dimethyl-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound NameN,3-dimethyl-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID146567941
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN,3-dimethyl-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCNc1ccc(-c2nc(C3CCOCC3)no2)c(C)c1
InChIInChI=1S/C15H19N3O2/c1-10-9-12(16-2)3-4-13(10)15-17-14(18-20-15)11-5-7-19-8-6-11/h3-4,9,11,16H,5-8H2,1-2H3
InChIKeyXUSRRCVXNZGIHK-UHFFFAOYSA-N
XLogP2.98
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of N,3-dimethyl-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline (CID 146567941) is N,3-dimethyl-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for N,3-dimethyl-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for N,3-dimethyl-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline is CNc1ccc(-c2nc(C3CCOCC3)no2)c(C)c1.
What is the InChIKey of N,3-dimethyl-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is XUSRRCVXNZGIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-9-12(16-2)3-4-13(10)15-17-14(18-20-15)11-5-7-19-8-6-11/h3-4,9,11,16H,5-8H2,1-2H3.
What are the key properties of N,3-dimethyl-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline?
N,3-dimethyl-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 273.34 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 146567941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).