1-(1,3-oxazol-4-ylmethyl)piperidine-3-carbonitrile

C10H13N3O — CID 123687188

IUPAC1-(1,3-oxazol-4-ylmethyl)piperidine-3-carbonitrile
SMILESN#CC1CCCN(Cc2cocn2)C1
InChIInChI=1S/C10H13N3O/c11-4-9-2-1-3-13(5-9)6-10-7-14-8-12-10/h7-9H,1-3,5-6H2
InChIKeyDUQCHCIJXRKYCA-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.41
Rot. Bonds2

About 1-(1,3-oxazol-4-ylmethyl)piperidine-3-carbonitrile

1-(1,3-oxazol-4-ylmethyl)piperidine-3-carbonitrile (PubChem CID 123687188) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(1,3-oxazol-4-ylmethyl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-(1,3-oxazol-4-ylmethyl)piperidine-3-carbonitrile
PubChem CID123687188
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-(1,3-oxazol-4-ylmethyl)piperidine-3-carbonitrile
SMILESN#CC1CCCN(Cc2cocn2)C1
InChIInChI=1S/C10H13N3O/c11-4-9-2-1-3-13(5-9)6-10-7-14-8-12-10/h7-9H,1-3,5-6H2
InChIKeyDUQCHCIJXRKYCA-UHFFFAOYSA-N
XLogP1.41
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-oxazol-4-ylmethyl)piperidine-3-carbonitrile?
The IUPAC name of 1-(1,3-oxazol-4-ylmethyl)piperidine-3-carbonitrile (CID 123687188) is 1-(1,3-oxazol-4-ylmethyl)piperidine-3-carbonitrile.
What is the SMILES notation for 1-(1,3-oxazol-4-ylmethyl)piperidine-3-carbonitrile?
The canonical SMILES for 1-(1,3-oxazol-4-ylmethyl)piperidine-3-carbonitrile is N#CC1CCCN(Cc2cocn2)C1.
What is the InChIKey of 1-(1,3-oxazol-4-ylmethyl)piperidine-3-carbonitrile?
The InChIKey is DUQCHCIJXRKYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c11-4-9-2-1-3-13(5-9)6-10-7-14-8-12-10/h7-9H,1-3,5-6H2.
What are the key properties of 1-(1,3-oxazol-4-ylmethyl)piperidine-3-carbonitrile?
1-(1,3-oxazol-4-ylmethyl)piperidine-3-carbonitrile has a molecular weight of 191.23 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxazol-4-ylmethyl)piperidine-3-carbonitrile is sourced from PubChem (CID 123687188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).