(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-piperidin-1-ylmethanone

C15H18N2O2 — CID 53016992

IUPAC(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-piperidin-1-ylmethanone
SMILESO=C(C1CC(c2ccccc2)=NO1)N1CCCCC1
InChIInChI=1S/C15H18N2O2/c18-15(17-9-5-2-6-10-17)14-11-13(16-19-14)12-7-3-1-4-8-12/h1,3-4,7-8,14H,2,5-6,9-11H2
InChIKeyHMYGDQRDDBHFGK-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.19
Rot. Bonds2

About (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-piperidin-1-ylmethanone

(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-piperidin-1-ylmethanone (PubChem CID 53016992) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-piperidin-1-ylmethanone
PubChem CID53016992
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-piperidin-1-ylmethanone
SMILESO=C(C1CC(c2ccccc2)=NO1)N1CCCCC1
InChIInChI=1S/C15H18N2O2/c18-15(17-9-5-2-6-10-17)14-11-13(16-19-14)12-7-3-1-4-8-12/h1,3-4,7-8,14H,2,5-6,9-11H2
InChIKeyHMYGDQRDDBHFGK-UHFFFAOYSA-N
XLogP2.19
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-piperidin-1-ylmethanone?
The IUPAC name of (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-piperidin-1-ylmethanone (CID 53016992) is (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-piperidin-1-ylmethanone is O=C(C1CC(c2ccccc2)=NO1)N1CCCCC1.
What is the InChIKey of (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-piperidin-1-ylmethanone?
The InChIKey is HMYGDQRDDBHFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-15(17-9-5-2-6-10-17)14-11-13(16-19-14)12-7-3-1-4-8-12/h1,3-4,7-8,14H,2,5-6,9-11H2.
What are the key properties of (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-piperidin-1-ylmethanone?
(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-piperidin-1-ylmethanone has a molecular weight of 258.32 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 53016992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).