(1S,2S,4R,5R)-4-[3-(2-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]bicyclo[3.1.0]hexan-2-amine

C16H20N4O2 — CID 138006876

IUPAC(1S,2S,4R,5R)-4-[3-(2-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]bicyclo[3.1.0]hexan-2-amine
SMILESCC(C)Oc1ncccc1-c1noc([C@@H]2C[C@H](N)[C@H]3C[C@H]32)n1
InChIInChI=1S/C16H20N4O2/c1-8(2)21-15-9(4-3-5-18-15)14-19-16(22-20-14)12-7-13(17)11-6-10(11)12/h3-5,8,10-13H,6-7,17H2,1-2H3/t10-,11+,12-,13+/m1/s1
InChIKeyLOIUQKRXQUWYLN-XQHKEYJVSA-N
MW300.36 g/mol
LogP2.37
Rot. Bonds4

About (1S,2S,4R,5R)-4-[3-(2-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]bicyclo[3.1.0]hexan-2-amine

(1S,2S,4R,5R)-4-[3-(2-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]bicyclo[3.1.0]hexan-2-amine (PubChem CID 138006876) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (1S,2S,4R,5R)-4-[3-(2-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]bicyclo[3.1.0]hexan-2-amine.

Molecular Properties

Compound Name(1S,2S,4R,5R)-4-[3-(2-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]bicyclo[3.1.0]hexan-2-amine
PubChem CID138006876
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(1S,2S,4R,5R)-4-[3-(2-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]bicyclo[3.1.0]hexan-2-amine
SMILESCC(C)Oc1ncccc1-c1noc([C@@H]2C[C@H](N)[C@H]3C[C@H]32)n1
InChIInChI=1S/C16H20N4O2/c1-8(2)21-15-9(4-3-5-18-15)14-19-16(22-20-14)12-7-13(17)11-6-10(11)12/h3-5,8,10-13H,6-7,17H2,1-2H3/t10-,11+,12-,13+/m1/s1
InChIKeyLOIUQKRXQUWYLN-XQHKEYJVSA-N
XLogP2.37
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S,2S,4R,5R)-4-[3-(2-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]bicyclo[3.1.0]hexan-2-amine with MolForge

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Related Compounds

(1R,2R,4S,5S)-4-[3-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]bicyclo[3.1.0]hexan-2-amine
CID 167870305
(1S,2S,4R,5R)-4-[3-(5-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]bicyclo[3.1.0]hexan-2-amine
CID 138006822
5-(2-propan-2-yloxy-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 146124457
(1R,2R,4S,5S)-4-[3-(3-pyrazol-1-ylphenyl)-1,2,4-oxadiazol-5-yl]bicyclo[3.1.0]hexan-2-amine
CID 167854656
4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200979
(5S)-5-[3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1,2-thiazolidine 1,1-dioxide
CID 164635093
(1R,2R,4S,5S)-4-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]bicyclo[3.1.0]hexan-2-amine
CID 138006787
4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66240288
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66240481
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474338
3-methyl-2-propan-2-yloxypyridine
CID 21334096
2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 82732105

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R,5R)-4-[3-(2-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]bicyclo[3.1.0]hexan-2-amine?
The IUPAC name of (1S,2S,4R,5R)-4-[3-(2-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]bicyclo[3.1.0]hexan-2-amine (CID 138006876) is (1S,2S,4R,5R)-4-[3-(2-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]bicyclo[3.1.0]hexan-2-amine.
What is the SMILES notation for (1S,2S,4R,5R)-4-[3-(2-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]bicyclo[3.1.0]hexan-2-amine?
The canonical SMILES for (1S,2S,4R,5R)-4-[3-(2-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]bicyclo[3.1.0]hexan-2-amine is CC(C)Oc1ncccc1-c1noc([C@@H]2C[C@H](N)[C@H]3C[C@H]32)n1.
What is the InChIKey of (1S,2S,4R,5R)-4-[3-(2-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]bicyclo[3.1.0]hexan-2-amine?
The InChIKey is LOIUQKRXQUWYLN-XQHKEYJVSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-8(2)21-15-9(4-3-5-18-15)14-19-16(22-20-14)12-7-13(17)11-6-10(11)12/h3-5,8,10-13H,6-7,17H2,1-2H3/t10-,11+,12-,13+/m1/s1.
What are the key properties of (1S,2S,4R,5R)-4-[3-(2-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]bicyclo[3.1.0]hexan-2-amine?
(1S,2S,4R,5R)-4-[3-(2-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]bicyclo[3.1.0]hexan-2-amine has a molecular weight of 300.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R,5R)-4-[3-(2-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]bicyclo[3.1.0]hexan-2-amine is sourced from PubChem (CID 138006876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).