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

C14H17N3O2 — CID 116701473

IUPAC2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
SMILESCNc1ccccc1-c1nc(C2(OC)CCC2)no1
InChIInChI=1S/C14H17N3O2/c1-15-11-7-4-3-6-10(11)12-16-13(17-19-12)14(18-2)8-5-9-14/h3-4,6-7,15H,5,8-9H2,1-2H3
InChIKeyLCKPJFTUCRNWNN-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.80
Rot. Bonds4

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

2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline (PubChem CID 116701473) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline.

Molecular Properties

Compound Name2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
PubChem CID116701473
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
SMILESCNc1ccccc1-c1nc(C2(OC)CCC2)no1
InChIInChI=1S/C14H17N3O2/c1-15-11-7-4-3-6-10(11)12-16-13(17-19-12)14(18-2)8-5-9-14/h3-4,6-7,15H,5,8-9H2,1-2H3
InChIKeyLCKPJFTUCRNWNN-UHFFFAOYSA-N
XLogP2.80
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928492
2-amino-6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136954546
3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 116701543
2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116742047
5-chloro-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136857835
6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 116701531
5-chloro-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116701313
4-iodo-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116701426
4-fluoro-3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116701424
4-bromo-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116701438
5-chloro-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136773854
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 136773857

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline?
The IUPAC name of 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline (CID 116701473) is 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline.
What is the SMILES notation for 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline?
The canonical SMILES for 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline is CNc1ccccc1-c1nc(C2(OC)CCC2)no1.
What is the InChIKey of 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline?
The InChIKey is LCKPJFTUCRNWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-15-11-7-4-3-6-10(11)12-16-13(17-19-12)14(18-2)8-5-9-14/h3-4,6-7,15H,5,8-9H2,1-2H3.
What are the key properties of 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline?
2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline has a molecular weight of 259.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline is sourced from PubChem (CID 116701473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).