4-chloro-2-methoxy-5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline

C13H16ClN3O2 — CID 47155540

IUPAC4-chloro-2-methoxy-5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
SMILESCOc1cc(Cl)c(C)cc1NC(C)c1nc(C)no1
InChIInChI=1S/C13H16ClN3O2/c1-7-5-11(12(18-4)6-10(7)14)15-8(2)13-16-9(3)17-19-13/h5-6,8,15H,1-4H3
InChIKeyNBWXTTUBRIJVDP-UHFFFAOYSA-N
MW281.74 g/mol
LogP3.52
Rot. Bonds4

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

4-chloro-2-methoxy-5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline (PubChem CID 47155540) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 4-chloro-2-methoxy-5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name4-chloro-2-methoxy-5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
PubChem CID47155540
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name4-chloro-2-methoxy-5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
SMILESCOc1cc(Cl)c(C)cc1NC(C)c1nc(C)no1
InChIInChI=1S/C13H16ClN3O2/c1-7-5-11(12(18-4)6-10(7)14)15-8(2)13-16-9(3)17-19-13/h5-6,8,15H,1-4H3
InChIKeyNBWXTTUBRIJVDP-UHFFFAOYSA-N
XLogP3.52
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 51729270
4-chloro-2-methoxy-5-methyl-N-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 51202900
4-chloro-2-methoxy-5-methyl-N-(1-pyridin-4-ylethyl)aniline
CID 43191802
2-[1-(4-chloro-2-methoxy-5-methylanilino)ethyl]benzene-1,3-diol
CID 107710317
4-chloro-N-(1-cyclopropylethyl)-2-methoxy-5-methylaniline
CID 43191804
2-(4-chloro-2-methoxy-5-methylanilino)propanenitrile
CID 60639264
5-chloro-2-methoxy-4-methyl-N-propan-2-ylaniline
CID 82492751
4-chloro-N-[1-(2,4-dibromophenyl)ethyl]-2-methoxy-5-methylaniline
CID 60781299
2-[1-(4-chloro-2-methoxy-5-methylanilino)ethyl]-5-methylphenol
CID 43103443
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 134062826
2-(4-chloro-2-methoxy-5-methylanilino)-N-(ethylcarbamoyl)propanamide
CID 18084847
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 107902832

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline?
The IUPAC name of 4-chloro-2-methoxy-5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline (CID 47155540) is 4-chloro-2-methoxy-5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 4-chloro-2-methoxy-5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline?
The canonical SMILES for 4-chloro-2-methoxy-5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline is COc1cc(Cl)c(C)cc1NC(C)c1nc(C)no1.
What is the InChIKey of 4-chloro-2-methoxy-5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline?
The InChIKey is NBWXTTUBRIJVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-7-5-11(12(18-4)6-10(7)14)15-8(2)13-16-9(3)17-19-13/h5-6,8,15H,1-4H3.
What are the key properties of 4-chloro-2-methoxy-5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline?
4-chloro-2-methoxy-5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline has a molecular weight of 281.74 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 47155540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).