[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone

C15H18N2O3 — CID 3158142

IUPAC[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CC(c2ccccc2O)=NO1)N1CCCCC1
InChIInChI=1S/C15H18N2O3/c18-13-7-3-2-6-11(13)12-10-14(20-16-12)15(19)17-8-4-1-5-9-17/h2-3,6-7,14,18H,1,4-5,8-10H2
InChIKeyFARORCXNRQIVPO-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.90
Rot. Bonds2

About [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone

[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 3158142) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
PubChem CID3158142
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CC(c2ccccc2O)=NO1)N1CCCCC1
InChIInChI=1S/C15H18N2O3/c18-13-7-3-2-6-11(13)12-10-14(20-16-12)15(19)17-8-4-1-5-9-17/h2-3,6-7,14,18H,1,4-5,8-10H2
InChIKeyFARORCXNRQIVPO-UHFFFAOYSA-N
XLogP1.90
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone (CID 3158142) is [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone is O=C(C1CC(c2ccccc2O)=NO1)N1CCCCC1.
What is the InChIKey of [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is FARORCXNRQIVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-13-7-3-2-6-11(13)12-10-14(20-16-12)15(19)17-8-4-1-5-9-17/h2-3,6-7,14,18H,1,4-5,8-10H2.
What are the key properties of [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone?
[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 274.32 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 3158142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).