1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidine-4-carbonitrile

C11H15N3O — CID 121174314

IUPAC1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidine-4-carbonitrile
SMILESCc1oncc1CN1CCC(C#N)CC1
InChIInChI=1S/C11H15N3O/c1-9-11(7-13-15-9)8-14-4-2-10(6-12)3-5-14/h7,10H,2-5,8H2,1H3
InChIKeyHWHUQVBKPRUKAX-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.72
Rot. Bonds2

About 1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidine-4-carbonitrile

1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidine-4-carbonitrile (PubChem CID 121174314) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidine-4-carbonitrile
PubChem CID121174314
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidine-4-carbonitrile
SMILESCc1oncc1CN1CCC(C#N)CC1
InChIInChI=1S/C11H15N3O/c1-9-11(7-13-15-9)8-14-4-2-10(6-12)3-5-14/h7,10H,2-5,8H2,1H3
InChIKeyHWHUQVBKPRUKAX-UHFFFAOYSA-N
XLogP1.72
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidine-4-carbonitrile (CID 121174314) is 1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidine-4-carbonitrile is Cc1oncc1CN1CCC(C#N)CC1.
What is the InChIKey of 1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidine-4-carbonitrile?
The InChIKey is HWHUQVBKPRUKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-9-11(7-13-15-9)8-14-4-2-10(6-12)3-5-14/h7,10H,2-5,8H2,1H3.
What are the key properties of 1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidine-4-carbonitrile?
1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidine-4-carbonitrile has a molecular weight of 205.26 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidine-4-carbonitrile is sourced from PubChem (CID 121174314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).