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

C16H19N3O2 — CID 53014101

IUPAC[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(c3cc(N)on3)CC2)cc1
InChIInChI=1S/C16H19N3O2/c1-11-2-4-13(5-3-11)16(20)19-8-6-12(7-9-19)14-10-15(17)21-18-14/h2-5,10,12H,6-9,17H2,1H3
InChIKeySCIDPHHGQDEZBQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.59
Rot. Bonds2

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

[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-methylphenyl)methanone (PubChem CID 53014101) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-methylphenyl)methanone
PubChem CID53014101
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(c3cc(N)on3)CC2)cc1
InChIInChI=1S/C16H19N3O2/c1-11-2-4-13(5-3-11)16(20)19-8-6-12(7-9-19)14-10-15(17)21-18-14/h2-5,10,12H,6-9,17H2,1H3
InChIKeySCIDPHHGQDEZBQ-UHFFFAOYSA-N
XLogP2.59
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-methylphenyl)methanone (CID 53014101) is [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCC(c3cc(N)on3)CC2)cc1.
What is the InChIKey of [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is SCIDPHHGQDEZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-2-4-13(5-3-11)16(20)19-8-6-12(7-9-19)14-10-15(17)21-18-14/h2-5,10,12H,6-9,17H2,1H3.
What are the key properties of [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-methylphenyl)methanone?
[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 285.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 53014101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).