N-ethyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline

C11H13N3O — CID 43701914

IUPACN-ethyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
SMILESCCNc1cc(-c2nnco2)ccc1C
InChIInChI=1S/C11H13N3O/c1-3-12-10-6-9(5-4-8(10)2)11-14-13-7-15-11/h4-7,12H,3H2,1-2H3
InChIKeyLHFXELSUCXMYIV-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.48
Rot. Bonds3

About N-ethyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline

N-ethyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 43701914) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is N-ethyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-ethyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID43701914
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC NameN-ethyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
SMILESCCNc1cc(-c2nnco2)ccc1C
InChIInChI=1S/C11H13N3O/c1-3-12-10-6-9(5-4-8(10)2)11-14-13-7-15-11/h4-7,12H,3H2,1-2H3
InChIKeyLHFXELSUCXMYIV-UHFFFAOYSA-N
XLogP2.48
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(3-methylsulfanylpropyl)-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701561
N-[(3,5-dichlorophenyl)methyl]-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 122157141
2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(thiadiazol-4-ylmethyl)aniline
CID 43701909
2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657222
N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 66133997
N-[(3-chlorophenyl)methyl]-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701810
N-cyclopropyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 103438990
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701573
2-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 43706139
3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 62230630
2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(thiolan-3-ylmethyl)aniline
CID 107131572
3-chloro-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 63679608

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-ethyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline (CID 43701914) is N-ethyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-ethyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-ethyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline is CCNc1cc(-c2nnco2)ccc1C.
What is the InChIKey of N-ethyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is LHFXELSUCXMYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-3-12-10-6-9(5-4-8(10)2)11-14-13-7-15-11/h4-7,12H,3H2,1-2H3.
What are the key properties of N-ethyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline?
N-ethyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 203.24 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 43701914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).