N-ethyl-1-methoxy-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine

C13H18N4O2 — CID 55202602

IUPACN-ethyl-1-methoxy-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCCNC(COC)Cc1nc(-c2cccnc2)no1
InChIInChI=1S/C13H18N4O2/c1-3-15-11(9-18-2)7-12-16-13(17-19-12)10-5-4-6-14-8-10/h4-6,8,11,15H,3,7,9H2,1-2H3
InChIKeyZTBFSIXLUZZUKG-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.30
Rot. Bonds7

About N-ethyl-1-methoxy-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine

N-ethyl-1-methoxy-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine (PubChem CID 55202602) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-ethyl-1-methoxy-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
PubChem CID55202602
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-ethyl-1-methoxy-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCCNC(COC)Cc1nc(-c2cccnc2)no1
InChIInChI=1S/C13H18N4O2/c1-3-15-11(9-18-2)7-12-16-13(17-19-12)10-5-4-6-14-8-10/h4-6,8,11,15H,3,7,9H2,1-2H3
InChIKeyZTBFSIXLUZZUKG-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

N-ethyl-1-methoxy-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63348588
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methoxypropan-2-amine
CID 63347697
N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 60708436
1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine
CID 63348511
1-methoxy-N-propyl-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63352401
N-ethyl-1-methoxy-3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63351993
methyl 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474655
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethyl-3-methoxypropan-2-amine
CID 63347485
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride
CID 54592854
N-ethyl-1-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 63347818
(2R)-1-phenoxy-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 95147172
1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine
CID 63352621

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-methoxy-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine (CID 55202602) is N-ethyl-1-methoxy-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine is CCNC(COC)Cc1nc(-c2cccnc2)no1.
What is the InChIKey of N-ethyl-1-methoxy-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The InChIKey is ZTBFSIXLUZZUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-15-11(9-18-2)7-12-16-13(17-19-12)10-5-4-6-14-8-10/h4-6,8,11,15H,3,7,9H2,1-2H3.
What are the key properties of N-ethyl-1-methoxy-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
N-ethyl-1-methoxy-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine has a molecular weight of 262.31 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine is sourced from PubChem (CID 55202602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).