1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-cyclohexylethanone

C16H25N3O2 — CID 53146528

IUPAC1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-cyclohexylethanone
SMILESNc1cc(C2CCN(C(=O)CC3CCCCC3)CC2)no1
InChIInChI=1S/C16H25N3O2/c17-15-11-14(18-21-15)13-6-8-19(9-7-13)16(20)10-12-4-2-1-3-5-12/h11-13H,1-10,17H2
InChIKeyFMHHITDYZALROJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.93
Rot. Bonds3

About 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-cyclohexylethanone

1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-cyclohexylethanone (PubChem CID 53146528) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-cyclohexylethanone.

Molecular Properties

Compound Name1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-cyclohexylethanone
PubChem CID53146528
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-cyclohexylethanone
SMILESNc1cc(C2CCN(C(=O)CC3CCCCC3)CC2)no1
InChIInChI=1S/C16H25N3O2/c17-15-11-14(18-21-15)13-6-8-19(9-7-13)16(20)10-12-4-2-1-3-5-12/h11-13H,1-10,17H2
InChIKeyFMHHITDYZALROJ-UHFFFAOYSA-N
XLogP2.93
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-cyclohexylethanone?
The IUPAC name of 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-cyclohexylethanone (CID 53146528) is 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-cyclohexylethanone.
What is the SMILES notation for 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-cyclohexylethanone?
The canonical SMILES for 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-cyclohexylethanone is Nc1cc(C2CCN(C(=O)CC3CCCCC3)CC2)no1.
What is the InChIKey of 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-cyclohexylethanone?
The InChIKey is FMHHITDYZALROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c17-15-11-14(18-21-15)13-6-8-19(9-7-13)16(20)10-12-4-2-1-3-5-12/h11-13H,1-10,17H2.
What are the key properties of 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-cyclohexylethanone?
1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-cyclohexylethanone has a molecular weight of 291.39 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-cyclohexylethanone is sourced from PubChem (CID 53146528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).