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

C17H23N5O2 — CID 171336527

IUPAC2-tert-butyl-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(C)(C)C)nc3C#N)CC2)n1
InChIInChI=1S/C17H23N5O2/c1-11-19-15(24-21-11)17(5)6-8-22(9-7-17)13-12(10-18)20-14(23-13)16(2,3)4/h6-9H2,1-5H3
InChIKeyWBNHMANQIZZZHS-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.09
Rot. Bonds2

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

2-tert-butyl-5-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 171336527) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-tert-butyl-5-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-tert-butyl-5-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile
PubChem CID171336527
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-tert-butyl-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(C)(C)C)nc3C#N)CC2)n1
InChIInChI=1S/C17H23N5O2/c1-11-19-15(24-21-11)17(5)6-8-22(9-7-17)13-12(10-18)20-14(23-13)16(2,3)4/h6-9H2,1-5H3
InChIKeyWBNHMANQIZZZHS-UHFFFAOYSA-N
XLogP3.09
TPSA91.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-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-tert-butyl-5-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile (CID 171336527) is 2-tert-butyl-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-tert-butyl-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-tert-butyl-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(C)(C)C)nc3C#N)CC2)n1.
What is the InChIKey of 2-tert-butyl-5-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile?
The InChIKey is WBNHMANQIZZZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-19-15(24-21-11)17(5)6-8-22(9-7-17)13-12(10-18)20-14(23-13)16(2,3)4/h6-9H2,1-5H3.
What are the key properties of 2-tert-butyl-5-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile?
2-tert-butyl-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 329.40 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-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 171336527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).