(1S)-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine

C12H22N4O2 — CID 104915391

IUPAC(1S)-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCCN1CCOC(c2noc([C@@H](N)CC)n2)C1
InChIInChI=1S/C12H22N4O2/c1-3-5-16-6-7-17-10(8-16)11-14-12(18-15-11)9(13)4-2/h9-10H,3-8,13H2,1-2H3/t9-,10?/m0/s1
InChIKeyOSZBOGBNXMBJGS-RGURZIINSA-N
MW254.33 g/mol
LogP1.26
Rot. Bonds5

About (1S)-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine

(1S)-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 104915391) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (1S)-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID104915391
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name(1S)-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCCN1CCOC(c2noc([C@@H](N)CC)n2)C1
InChIInChI=1S/C12H22N4O2/c1-3-5-16-6-7-17-10(8-16)11-14-12(18-15-11)9(13)4-2/h9-10H,3-8,13H2,1-2H3/t9-,10?/m0/s1
InChIKeyOSZBOGBNXMBJGS-RGURZIINSA-N
XLogP1.26
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 79658044
2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 79669363
1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 79077645
2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 79666401
(1S)-1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107145038
N-[[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 79668683
1-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 79962698
3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79657503
2-methyl-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106525813
3,3-dimethyl-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 79664685
1,1,1-trifluoro-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 79664676
4-methoxy-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 81086229

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of (1S)-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 104915391) is (1S)-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for (1S)-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for (1S)-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CCCN1CCOC(c2noc([C@@H](N)CC)n2)C1.
What is the InChIKey of (1S)-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is OSZBOGBNXMBJGS-RGURZIINSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-3-5-16-6-7-17-10(8-16)11-14-12(18-15-11)9(13)4-2/h9-10H,3-8,13H2,1-2H3/t9-,10?/m0/s1.
What are the key properties of (1S)-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
(1S)-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 254.33 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 104915391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).