[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone

C15H16N2O3 — CID 5309106

IUPAC[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(-c2cccc(O)c2)on1)N1CCCCC1
InChIInChI=1S/C15H16N2O3/c18-12-6-4-5-11(9-12)14-10-13(16-20-14)15(19)17-7-2-1-3-8-17/h4-6,9-10,18H,1-3,7-8H2
InChIKeySDTDBHRWDVSUGD-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.67
Rot. Bonds2

About [5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone

[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone (PubChem CID 5309106) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is [5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone
PubChem CID5309106
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(-c2cccc(O)c2)on1)N1CCCCC1
InChIInChI=1S/C15H16N2O3/c18-12-6-4-5-11(9-12)14-10-13(16-20-14)15(19)17-7-2-1-3-8-17/h4-6,9-10,18H,1-3,7-8H2
InChIKeySDTDBHRWDVSUGD-UHFFFAOYSA-N
XLogP2.67
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone (CID 5309106) is [5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone is O=C(c1cc(-c2cccc(O)c2)on1)N1CCCCC1.
What is the InChIKey of [5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is SDTDBHRWDVSUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-12-6-4-5-11(9-12)14-10-13(16-20-14)15(19)17-7-2-1-3-8-17/h4-6,9-10,18H,1-3,7-8H2.
What are the key properties of [5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone?
[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 272.30 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 5309106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).