2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline

C16H15N3O2 — CID 43514779

IUPAC2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
SMILESCNc1ccccc1-c1nc(-c2ccc(OC)cc2)no1
InChIInChI=1S/C16H15N3O2/c1-17-14-6-4-3-5-13(14)16-18-15(19-21-16)11-7-9-12(20-2)10-8-11/h3-10,17H,1-2H3
InChIKeyOPZMHLGHRULBDV-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.45
Rot. Bonds4

About 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline

2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline (PubChem CID 43514779) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
PubChem CID43514779
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
SMILESCNc1ccccc1-c1nc(-c2ccc(OC)cc2)no1
InChIInChI=1S/C16H15N3O2/c1-17-14-6-4-3-5-13(14)16-18-15(19-21-16)11-7-9-12(20-2)10-8-11/h3-10,17H,1-2H3
InChIKeyOPZMHLGHRULBDV-UHFFFAOYSA-N
XLogP3.45
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 43519239
5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 752271
2-(4-methoxyphenyl)-N-methylaniline
CID 12555620
4-[5-[2-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888916
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-diphenylacetamide
CID 30332666
4-fluoro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 4973284
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methylpentanamide
CID 30333438
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide
CID 3267440
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide
CID 30333369
2-(4-methoxyphenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4901930
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-6-methylpyridine-3-carboxamide
CID 30334645
2-(4-chlorophenyl)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30332574

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline?
The IUPAC name of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline (CID 43514779) is 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline is CNc1ccccc1-c1nc(-c2ccc(OC)cc2)no1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline?
The InChIKey is OPZMHLGHRULBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-17-14-6-4-3-5-13(14)16-18-15(19-21-16)11-7-9-12(20-2)10-8-11/h3-10,17H,1-2H3.
What are the key properties of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline?
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline has a molecular weight of 281.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline is sourced from PubChem (CID 43514779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).