N-piperidin-3-yl-1,3-oxazol-2-amine

C8H13N3O — CID 112709406

IUPACN-piperidin-3-yl-1,3-oxazol-2-amine
SMILESc1coc(NC2CCCNC2)n1
InChIInChI=1S/C8H13N3O/c1-2-7(6-9-3-1)11-8-10-4-5-12-8/h4-5,7,9H,1-3,6H2,(H,10,11)
InChIKeyKTGGTAZFFPPICL-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.84
Rot. Bonds2

About N-piperidin-3-yl-1,3-oxazol-2-amine

N-piperidin-3-yl-1,3-oxazol-2-amine (PubChem CID 112709406) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-piperidin-3-yl-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-piperidin-3-yl-1,3-oxazol-2-amine
PubChem CID112709406
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-piperidin-3-yl-1,3-oxazol-2-amine
SMILESc1coc(NC2CCCNC2)n1
InChIInChI=1S/C8H13N3O/c1-2-7(6-9-3-1)11-8-10-4-5-12-8/h4-5,7,9H,1-3,6H2,(H,10,11)
InChIKeyKTGGTAZFFPPICL-UHFFFAOYSA-N
XLogP0.84
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-1,3-oxazol-2-amine?
The IUPAC name of N-piperidin-3-yl-1,3-oxazol-2-amine (CID 112709406) is N-piperidin-3-yl-1,3-oxazol-2-amine.
What is the SMILES notation for N-piperidin-3-yl-1,3-oxazol-2-amine?
The canonical SMILES for N-piperidin-3-yl-1,3-oxazol-2-amine is c1coc(NC2CCCNC2)n1.
What is the InChIKey of N-piperidin-3-yl-1,3-oxazol-2-amine?
The InChIKey is KTGGTAZFFPPICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-7(6-9-3-1)11-8-10-4-5-12-8/h4-5,7,9H,1-3,6H2,(H,10,11).
What are the key properties of N-piperidin-3-yl-1,3-oxazol-2-amine?
N-piperidin-3-yl-1,3-oxazol-2-amine has a molecular weight of 167.21 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-1,3-oxazol-2-amine is sourced from PubChem (CID 112709406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).