N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

C16H22N4O2 — CID 154800103

IUPACN-[(2S,3R)-2-ethyloxolan-3-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCC[C@@H]1OCC[C@H]1Nc1cc(-c2nc(C(C)C)no2)ccn1
InChIInChI=1S/C16H22N4O2/c1-4-13-12(6-8-21-13)18-14-9-11(5-7-17-14)16-19-15(10(2)3)20-22-16/h5,7,9-10,12-13H,4,6,8H2,1-3H3,(H,17,18)/t12-,13+/m1/s1
InChIKeyMSHDBQVRTIOECT-OLZOCXBDSA-N
MW302.38 g/mol
LogP3.23
Rot. Bonds5

About N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (PubChem CID 154800103) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(2S,3R)-2-ethyloxolan-3-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
PubChem CID154800103
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[(2S,3R)-2-ethyloxolan-3-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCC[C@@H]1OCC[C@H]1Nc1cc(-c2nc(C(C)C)no2)ccn1
InChIInChI=1S/C16H22N4O2/c1-4-13-12(6-8-21-13)18-14-9-11(5-7-17-14)16-19-15(10(2)3)20-22-16/h5,7,9-10,12-13H,4,6,8H2,1-3H3,(H,17,18)/t12-,13+/m1/s1
InChIKeyMSHDBQVRTIOECT-OLZOCXBDSA-N
XLogP3.23
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The IUPAC name of N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (CID 154800103) is N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is CC[C@@H]1OCC[C@H]1Nc1cc(-c2nc(C(C)C)no2)ccn1.
What is the InChIKey of N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The InChIKey is MSHDBQVRTIOECT-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-4-13-12(6-8-21-13)18-14-9-11(5-7-17-14)16-19-15(10(2)3)20-22-16/h5,7,9-10,12-13H,4,6,8H2,1-3H3,(H,17,18)/t12-,13+/m1/s1.
What are the key properties of N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine has a molecular weight of 302.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 154800103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).