1,2-oxazolidin-2-yl-[4-[1-(2-phenylethyl)piperidin-4-yl]oxyphenyl]methanone

C23H28N2O3 — CID 26326622

IUPAC1,2-oxazolidin-2-yl-[4-[1-(2-phenylethyl)piperidin-4-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1)N1CCCO1
InChIInChI=1S/C23H28N2O3/c26-23(25-14-4-18-27-25)20-7-9-21(10-8-20)28-22-12-16-24(17-13-22)15-11-19-5-2-1-3-6-19/h1-3,5-10,22H,4,11-18H2
InChIKeyVUNAQHVTWVFBDK-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.55
Rot. Bonds6

About 1,2-oxazolidin-2-yl-[4-[1-(2-phenylethyl)piperidin-4-yl]oxyphenyl]methanone

1,2-oxazolidin-2-yl-[4-[1-(2-phenylethyl)piperidin-4-yl]oxyphenyl]methanone (PubChem CID 26326622) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1,2-oxazolidin-2-yl-[4-[1-(2-phenylethyl)piperidin-4-yl]oxyphenyl]methanone.

Molecular Properties

Compound Name1,2-oxazolidin-2-yl-[4-[1-(2-phenylethyl)piperidin-4-yl]oxyphenyl]methanone
PubChem CID26326622
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name1,2-oxazolidin-2-yl-[4-[1-(2-phenylethyl)piperidin-4-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1)N1CCCO1
InChIInChI=1S/C23H28N2O3/c26-23(25-14-4-18-27-25)20-7-9-21(10-8-20)28-22-12-16-24(17-13-22)15-11-19-5-2-1-3-6-19/h1-3,5-10,22H,4,11-18H2
InChIKeyVUNAQHVTWVFBDK-UHFFFAOYSA-N
XLogP3.55
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazolidin-2-yl-[4-[1-(2-phenylethyl)piperidin-4-yl]oxyphenyl]methanone?
The IUPAC name of 1,2-oxazolidin-2-yl-[4-[1-(2-phenylethyl)piperidin-4-yl]oxyphenyl]methanone (CID 26326622) is 1,2-oxazolidin-2-yl-[4-[1-(2-phenylethyl)piperidin-4-yl]oxyphenyl]methanone.
What is the SMILES notation for 1,2-oxazolidin-2-yl-[4-[1-(2-phenylethyl)piperidin-4-yl]oxyphenyl]methanone?
The canonical SMILES for 1,2-oxazolidin-2-yl-[4-[1-(2-phenylethyl)piperidin-4-yl]oxyphenyl]methanone is O=C(c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1)N1CCCO1.
What is the InChIKey of 1,2-oxazolidin-2-yl-[4-[1-(2-phenylethyl)piperidin-4-yl]oxyphenyl]methanone?
The InChIKey is VUNAQHVTWVFBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c26-23(25-14-4-18-27-25)20-7-9-21(10-8-20)28-22-12-16-24(17-13-22)15-11-19-5-2-1-3-6-19/h1-3,5-10,22H,4,11-18H2.
What are the key properties of 1,2-oxazolidin-2-yl-[4-[1-(2-phenylethyl)piperidin-4-yl]oxyphenyl]methanone?
1,2-oxazolidin-2-yl-[4-[1-(2-phenylethyl)piperidin-4-yl]oxyphenyl]methanone has a molecular weight of 380.49 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazolidin-2-yl-[4-[1-(2-phenylethyl)piperidin-4-yl]oxyphenyl]methanone is sourced from PubChem (CID 26326622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).