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

C16H15N3O2 — CID 62715487

IUPACN-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCNc1ccccc1-c1nc(COc2ccccc2)no1
InChIInChI=1S/C16H15N3O2/c1-17-14-10-6-5-9-13(14)16-18-15(19-21-16)11-20-12-7-3-2-4-8-12/h2-10,17H,11H2,1H3
InChIKeyIHRATUFEOQJDDJ-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.36
Rot. Bonds5

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

N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 62715487) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound NameN-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID62715487
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCNc1ccccc1-c1nc(COc2ccccc2)no1
InChIInChI=1S/C16H15N3O2/c1-17-14-10-6-5-9-13(14)16-18-15(19-21-16)11-20-12-7-3-2-4-8-12/h2-10,17H,11H2,1H3
InChIKeyIHRATUFEOQJDDJ-UHFFFAOYSA-N
XLogP3.36
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 30329032
4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide
CID 30332754
2,2,2-trichloro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30334549
4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]pentanamide
CID 30333454
2-(4-methoxyphenoxy)-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30331884
N-methyl-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline
CID 43670382
N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide
CID 30333388
2-[5-[2-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 104827116
4-chloro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 30329541
3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 42692255
3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844357
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 43514779

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]aniline (CID 62715487) is N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]aniline is CNc1ccccc1-c1nc(COc2ccccc2)no1.
What is the InChIKey of N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is IHRATUFEOQJDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-17-14-10-6-5-9-13(14)16-18-15(19-21-16)11-20-12-7-3-2-4-8-12/h2-10,17H,11H2,1H3.
What are the key properties of N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]aniline?
N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 281.31 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 62715487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).