N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine

C13H16N4O — CID 66188094

IUPACN-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
SMILESCN(Cc1nc(-c2ccccc2)no1)C1CNC1
InChIInChI=1S/C13H16N4O/c1-17(11-7-14-8-11)9-12-15-13(16-18-12)10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3
InChIKeyIJMQMUFXSKOKGG-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.14
Rot. Bonds4

About N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine

N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine (PubChem CID 66188094) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
PubChem CID66188094
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
SMILESCN(Cc1nc(-c2ccccc2)no1)C1CNC1
InChIInChI=1S/C13H16N4O/c1-17(11-7-14-8-11)9-12-15-13(16-18-12)10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3
InChIKeyIJMQMUFXSKOKGG-UHFFFAOYSA-N
XLogP1.14
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidin-3-amine
CID 63301628
N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine
CID 43607543
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913209
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethylazetidin-3-amine
CID 66181534
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-2-amine
CID 8593214
N-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 43607304
2-[[cyclohexyl(methyl)amino]methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 112771046
N-cyclohexyl-4-iodo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 2240067
3-phenyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 71261689
N-ethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 66183896
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 82714094
4-[5-[[cyclohexyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]benzaldehyde
CID 25219232

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine?
The IUPAC name of N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine (CID 66188094) is N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine.
What is the SMILES notation for N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine?
The canonical SMILES for N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine is CN(Cc1nc(-c2ccccc2)no1)C1CNC1.
What is the InChIKey of N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine?
The InChIKey is IJMQMUFXSKOKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17(11-7-14-8-11)9-12-15-13(16-18-12)10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3.
What are the key properties of N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine?
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine has a molecular weight of 244.30 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine is sourced from PubChem (CID 66188094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).