(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

C18H20N6O3 — CID 99994121

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C18H20N6O3/c1-11-16(12(2)26-22-11)18(25)24-7-3-4-13(10-24)8-15-21-17(23-27-15)14-9-19-5-6-20-14/h5-6,9,13H,3-4,7-8,10H2,1-2H3/t13-/m1/s1
InChIKeyDLKZKGAJZJNRHE-CYBMUJFWSA-N
MW368.40 g/mol
LogP2.23
Rot. Bonds4

About (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 99994121) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
PubChem CID99994121
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C18H20N6O3/c1-11-16(12(2)26-22-11)18(25)24-7-3-4-13(10-24)8-15-21-17(23-27-15)14-9-19-5-6-20-14/h5-6,9,13H,3-4,7-8,10H2,1-2H3/t13-/m1/s1
InChIKeyDLKZKGAJZJNRHE-CYBMUJFWSA-N
XLogP2.23
TPSA111.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (CID 99994121) is (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is Cc1noc(C)c1C(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is DLKZKGAJZJNRHE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-11-16(12(2)26-22-11)18(25)24-7-3-4-13(10-24)8-15-21-17(23-27-15)14-9-19-5-6-20-14/h5-6,9,13H,3-4,7-8,10H2,1-2H3/t13-/m1/s1.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 368.40 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 99994121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).