N,N-dimethyl-5-[(4-pyrazin-2-yloxyphenoxy)methyl]-1,2,4-oxadiazol-3-amine

C15H15N5O3 — CID 166380342

IUPACN,N-dimethyl-5-[(4-pyrazin-2-yloxyphenoxy)methyl]-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(COc2ccc(Oc3cnccn3)cc2)n1
InChIInChI=1S/C15H15N5O3/c1-20(2)15-18-14(23-19-15)10-21-11-3-5-12(6-4-11)22-13-9-16-7-8-17-13/h3-9H,10H2,1-2H3
InChIKeyPAIZOCYBCUEAMK-UHFFFAOYSA-N
MW313.32 g/mol
LogP2.30
Rot. Bonds6

About N,N-dimethyl-5-[(4-pyrazin-2-yloxyphenoxy)methyl]-1,2,4-oxadiazol-3-amine

N,N-dimethyl-5-[(4-pyrazin-2-yloxyphenoxy)methyl]-1,2,4-oxadiazol-3-amine (PubChem CID 166380342) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is N,N-dimethyl-5-[(4-pyrazin-2-yloxyphenoxy)methyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[(4-pyrazin-2-yloxyphenoxy)methyl]-1,2,4-oxadiazol-3-amine
PubChem CID166380342
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC NameN,N-dimethyl-5-[(4-pyrazin-2-yloxyphenoxy)methyl]-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(COc2ccc(Oc3cnccn3)cc2)n1
InChIInChI=1S/C15H15N5O3/c1-20(2)15-18-14(23-19-15)10-21-11-3-5-12(6-4-11)22-13-9-16-7-8-17-13/h3-9H,10H2,1-2H3
InChIKeyPAIZOCYBCUEAMK-UHFFFAOYSA-N
XLogP2.30
TPSA86.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-pyrazin-2-yloxyphenoxy)pyrazine
CID 101444877
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 132970569
2-[4-(pyridin-3-ylmethoxy)phenoxy]pyrazine
CID 167789022
5-[(4-tert-butylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 1085872
2-(4-phenylphenoxy)pyrazine
CID 518373
[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-2-pyridinyl]methanamine
CID 79776627
5-(phenoxymethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 880364
1-(furan-2-yl)-N-methyl-N-[(4-pyrazin-2-yloxyphenyl)methyl]ethanamine
CID 75438545
1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 43503686
4-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 115345427
6-pyrazin-2-yloxy-1H-indole
CID 118649509
3-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 60718376

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(4-pyrazin-2-yloxyphenoxy)methyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of N,N-dimethyl-5-[(4-pyrazin-2-yloxyphenoxy)methyl]-1,2,4-oxadiazol-3-amine (CID 166380342) is N,N-dimethyl-5-[(4-pyrazin-2-yloxyphenoxy)methyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N,N-dimethyl-5-[(4-pyrazin-2-yloxyphenoxy)methyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N,N-dimethyl-5-[(4-pyrazin-2-yloxyphenoxy)methyl]-1,2,4-oxadiazol-3-amine is CN(C)c1noc(COc2ccc(Oc3cnccn3)cc2)n1.
What is the InChIKey of N,N-dimethyl-5-[(4-pyrazin-2-yloxyphenoxy)methyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is PAIZOCYBCUEAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-20(2)15-18-14(23-19-15)10-21-11-3-5-12(6-4-11)22-13-9-16-7-8-17-13/h3-9H,10H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[(4-pyrazin-2-yloxyphenoxy)methyl]-1,2,4-oxadiazol-3-amine?
N,N-dimethyl-5-[(4-pyrazin-2-yloxyphenoxy)methyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 313.32 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(4-pyrazin-2-yloxyphenoxy)methyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 166380342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).