(3R,6S)-6-[5-(6-ethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]oxan-3-amine

C14H18N4O2 — CID 164810573

IUPAC(3R,6S)-6-[5-(6-ethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]oxan-3-amine
SMILESCCc1ccc(-c2nnc([C@@H]3CC[C@@H](N)CO3)o2)cn1
InChIInChI=1S/C14H18N4O2/c1-2-11-5-3-9(7-16-11)13-17-18-14(20-13)12-6-4-10(15)8-19-12/h3,5,7,10,12H,2,4,6,8,15H2,1H3/t10-,12+/m1/s1
InChIKeyMECPAFLYSACIQU-PWSUYJOCSA-N
MW274.32 g/mol
LogP1.87
Rot. Bonds3

About (3R,6S)-6-[5-(6-ethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]oxan-3-amine

(3R,6S)-6-[5-(6-ethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]oxan-3-amine (PubChem CID 164810573) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (3R,6S)-6-[5-(6-ethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]oxan-3-amine.

Molecular Properties

Compound Name(3R,6S)-6-[5-(6-ethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]oxan-3-amine
PubChem CID164810573
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name(3R,6S)-6-[5-(6-ethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]oxan-3-amine
SMILESCCc1ccc(-c2nnc([C@@H]3CC[C@@H](N)CO3)o2)cn1
InChIInChI=1S/C14H18N4O2/c1-2-11-5-3-9(7-16-11)13-17-18-14(20-13)12-6-4-10(15)8-19-12/h3,5,7,10,12H,2,4,6,8,15H2,1H3/t10-,12+/m1/s1
InChIKeyMECPAFLYSACIQU-PWSUYJOCSA-N
XLogP1.87
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,6S)-6-[5-(6-ethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]oxan-3-amine with MolForge

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Related Compounds

(3R,6S)-6-[5-(6-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]oxan-3-amine;hydrochloride
CID 175759715
5-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
CID 146552518
2-(4-ethylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
CID 39359301
N-[(3R,6S)-6-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[(6-chloro-3-pyridinyl)oxy]acetamide
CID 155234443
(3R,6S)-6-[5-[(1R,2R)-2-(trifluoromethoxymethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]oxan-3-amine
CID 155211567
2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 75615413
5-cyclopropyl-2-ethylpyridine;ethane
CID 142548928
2-ethyl-5-(1H-pyrrol-2-yl)pyridine
CID 138502463
3-(6-ethyl-3-pyridinyl)-1,2-oxazole
CID 89020540
N-[3-[5-(6-ethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]-2-methylpyrimidine-4-carboxamide
CID 67344379
2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069885
3-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclobutan-1-amine
CID 90064881

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-6-[5-(6-ethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]oxan-3-amine?
The IUPAC name of (3R,6S)-6-[5-(6-ethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]oxan-3-amine (CID 164810573) is (3R,6S)-6-[5-(6-ethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]oxan-3-amine.
What is the SMILES notation for (3R,6S)-6-[5-(6-ethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]oxan-3-amine?
The canonical SMILES for (3R,6S)-6-[5-(6-ethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]oxan-3-amine is CCc1ccc(-c2nnc([C@@H]3CC[C@@H](N)CO3)o2)cn1.
What is the InChIKey of (3R,6S)-6-[5-(6-ethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]oxan-3-amine?
The InChIKey is MECPAFLYSACIQU-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-11-5-3-9(7-16-11)13-17-18-14(20-13)12-6-4-10(15)8-19-12/h3,5,7,10,12H,2,4,6,8,15H2,1H3/t10-,12+/m1/s1.
What are the key properties of (3R,6S)-6-[5-(6-ethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]oxan-3-amine?
(3R,6S)-6-[5-(6-ethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]oxan-3-amine has a molecular weight of 274.32 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-[5-(6-ethyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]oxan-3-amine is sourced from PubChem (CID 164810573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).