2-methyl-5-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile

C14H17N5O2 — CID 171336526

IUPAC2-methyl-5-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESCc1noc(C2(C)CCN(c3oc(C)nc3C#N)CC2)n1
InChIInChI=1S/C14H17N5O2/c1-9-16-13(21-18-9)14(3)4-6-19(7-5-14)12-11(8-15)17-10(2)20-12/h4-7H2,1-3H3
InChIKeyIDOSTYHFTKETBL-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.10
Rot. Bonds2

About 2-methyl-5-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile

2-methyl-5-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 171336526) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-methyl-5-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-5-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile
PubChem CID171336526
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name2-methyl-5-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESCc1noc(C2(C)CCN(c3oc(C)nc3C#N)CC2)n1
InChIInChI=1S/C14H17N5O2/c1-9-16-13(21-18-9)14(3)4-6-19(7-5-14)12-11(8-15)17-10(2)20-12/h4-7H2,1-3H3
InChIKeyIDOSTYHFTKETBL-UHFFFAOYSA-N
XLogP2.10
TPSA91.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-methyl-5-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile (CID 171336526) is 2-methyl-5-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-methyl-5-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-methyl-5-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile is Cc1noc(C2(C)CCN(c3oc(C)nc3C#N)CC2)n1.
What is the InChIKey of 2-methyl-5-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile?
The InChIKey is IDOSTYHFTKETBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9-16-13(21-18-9)14(3)4-6-19(7-5-14)12-11(8-15)17-10(2)20-12/h4-7H2,1-3H3.
What are the key properties of 2-methyl-5-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile?
2-methyl-5-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 287.32 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 171336526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).