(4-amino-3,3-dimethylpiperidin-1-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone

C16H23N5O2 — CID 120818131

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C16H23N5O2/c1-10-13(19-14(23-10)11-7-18-20(4)8-11)15(22)21-6-5-12(17)16(2,3)9-21/h7-8,12H,5-6,9,17H2,1-4H3
InChIKeyJBLMDXPUZNJENK-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.58
Rot. Bonds2

About (4-amino-3,3-dimethylpiperidin-1-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone (PubChem CID 120818131) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
PubChem CID120818131
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C16H23N5O2/c1-10-13(19-14(23-10)11-7-18-20(4)8-11)15(22)21-6-5-12(17)16(2,3)9-21/h7-8,12H,5-6,9,17H2,1-4H3
InChIKeyJBLMDXPUZNJENK-UHFFFAOYSA-N
XLogP1.58
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone (CID 120818131) is (4-amino-3,3-dimethylpiperidin-1-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone is Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCC(N)C(C)(C)C1.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone?
The InChIKey is JBLMDXPUZNJENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-10-13(19-14(23-10)11-7-18-20(4)8-11)15(22)21-6-5-12(17)16(2,3)9-21/h7-8,12H,5-6,9,17H2,1-4H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone has a molecular weight of 317.39 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 120818131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).