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

C13H18N4O2 — CID 106418495

IUPACN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxypyridin-2-amine
SMILESCCCOc1cccnc1NCCc1noc(C)n1
InChIInChI=1S/C13H18N4O2/c1-3-9-18-11-5-4-7-14-13(11)15-8-6-12-16-10(2)19-17-12/h4-5,7H,3,6,8-9H2,1-2H3,(H,14,15)
InChIKeyXWOBAMWZDDUSLW-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.22
Rot. Bonds7

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

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxypyridin-2-amine (PubChem CID 106418495) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxypyridin-2-amine.

Molecular Properties

Compound NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxypyridin-2-amine
PubChem CID106418495
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxypyridin-2-amine
SMILESCCCOc1cccnc1NCCc1noc(C)n1
InChIInChI=1S/C13H18N4O2/c1-3-9-18-11-5-4-7-14-13(11)15-8-6-12-16-10(2)19-17-12/h4-5,7H,3,6,8-9H2,1-2H3,(H,14,15)
InChIKeyXWOBAMWZDDUSLW-UHFFFAOYSA-N
XLogP2.22
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106413986
N-pent-3-ynyl-3-propoxypyridin-2-amine
CID 116644405
N-pent-4-ynyl-3-propoxypyridin-2-amine
CID 106222583
5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol
CID 106129002
4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine
CID 106418468
4-ethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine
CID 106418608
ethyl 3-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylate
CID 106422570
7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]isoquinolin-1-amine
CID 106418459
N-[(4-ethylphenyl)methyl]-3-propoxypyridin-2-amine
CID 106900046
6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106424218
2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 106419522
3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
CID 103748375

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxypyridin-2-amine?
The IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxypyridin-2-amine (CID 106418495) is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxypyridin-2-amine.
What is the SMILES notation for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxypyridin-2-amine?
The canonical SMILES for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxypyridin-2-amine is CCCOc1cccnc1NCCc1noc(C)n1.
What is the InChIKey of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxypyridin-2-amine?
The InChIKey is XWOBAMWZDDUSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-9-18-11-5-4-7-14-13(11)15-8-6-12-16-10(2)19-17-12/h4-5,7H,3,6,8-9H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxypyridin-2-amine?
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxypyridin-2-amine has a molecular weight of 262.31 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxypyridin-2-amine is sourced from PubChem (CID 106418495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).