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

C14H19N3O2 — CID 115929055

IUPACN-(1-ethoxypropan-2-yl)-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCCOCC(C)Nc1ccc(-c2nnco2)cc1C
InChIInChI=1S/C14H19N3O2/c1-4-18-8-11(3)16-13-6-5-12(7-10(13)2)14-17-15-9-19-14/h5-7,9,11,16H,4,8H2,1-3H3
InChIKeyGDZGUWWSIGXGKX-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.88
Rot. Bonds6

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

N-(1-ethoxypropan-2-yl)-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 115929055) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID115929055
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(1-ethoxypropan-2-yl)-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCCOCC(C)Nc1ccc(-c2nnco2)cc1C
InChIInChI=1S/C14H19N3O2/c1-4-18-8-11(3)16-13-6-5-12(7-10(13)2)14-17-15-9-19-14/h5-7,9,11,16H,4,8H2,1-3H3
InChIKeyGDZGUWWSIGXGKX-UHFFFAOYSA-N
XLogP2.88
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(4-methylpentan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43735645
methyl 2-[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]propanoate
CID 66174734
5-methoxy-4-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentane-1,4-diamine
CID 103388781
N-(1-ethoxypropan-2-yl)-4-iodo-2-methylaniline
CID 115929993
N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]ethanesulfonamide
CID 64585706
N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701514
N-(1-methoxypropan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline
CID 55085987
N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline
CID 62345905
N-ethyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701914
2-bromo-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 63681213
2-amino-4-methyl-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 43713909
3-chloro-2-methyl-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]propane-1-sulfonamide
CID 79557380

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-(1-ethoxypropan-2-yl)-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline (CID 115929055) is N-(1-ethoxypropan-2-yl)-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline is CCOCC(C)Nc1ccc(-c2nnco2)cc1C.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is GDZGUWWSIGXGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-18-8-11(3)16-13-6-5-12(7-10(13)2)14-17-15-9-19-14/h5-7,9,11,16H,4,8H2,1-3H3.
What are the key properties of N-(1-ethoxypropan-2-yl)-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline?
N-(1-ethoxypropan-2-yl)-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 261.32 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 115929055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).