N,N-dimethyl-4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)aniline

C16H17N3O — CID 3282120

IUPACN,N-dimethyl-4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)aniline
SMILESCN(C)c1ccc(C2N=C(c3ccccc3)NO2)cc1
InChIInChI=1S/C16H17N3O/c1-19(2)14-10-8-13(9-11-14)16-17-15(18-20-16)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H,17,18)
InChIKeyNKYSDBWTHWMRHD-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.73
Rot. Bonds3

About N,N-dimethyl-4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)aniline

N,N-dimethyl-4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 3282120) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N,N-dimethyl-4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)aniline
PubChem CID3282120
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN,N-dimethyl-4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)aniline
SMILESCN(C)c1ccc(C2N=C(c3ccccc3)NO2)cc1
InChIInChI=1S/C16H17N3O/c1-19(2)14-10-8-13(9-11-14)16-17-15(18-20-16)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H,17,18)
InChIKeyNKYSDBWTHWMRHD-UHFFFAOYSA-N
XLogP2.73
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)aniline (CID 3282120) is N,N-dimethyl-4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)aniline is CN(C)c1ccc(C2N=C(c3ccccc3)NO2)cc1.
What is the InChIKey of N,N-dimethyl-4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is NKYSDBWTHWMRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19(2)14-10-8-13(9-11-14)16-17-15(18-20-16)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H,17,18).
What are the key properties of N,N-dimethyl-4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)aniline?
N,N-dimethyl-4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 267.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 3282120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).