(4-hydroxyphenyl)-[1-[5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]piperidin-4-yl]methanone

C20H22N2O5 — CID 97011736

IUPAC(4-hydroxyphenyl)-[1-[5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(O)cc1)C1CCN(C(=O)c2ncoc2[C@@H]2CCCO2)CC1
InChIInChI=1S/C20H22N2O5/c23-15-5-3-13(4-6-15)18(24)14-7-9-22(10-8-14)20(25)17-19(27-12-21-17)16-2-1-11-26-16/h3-6,12,14,16,23H,1-2,7-11H2/t16-/m0/s1
InChIKeyUHQYSFFLRVTACN-INIZCTEOSA-N
MW370.41 g/mol
LogP2.97
Rot. Bonds4

About (4-hydroxyphenyl)-[1-[5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]piperidin-4-yl]methanone

(4-hydroxyphenyl)-[1-[5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]piperidin-4-yl]methanone (PubChem CID 97011736) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is (4-hydroxyphenyl)-[1-[5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-[1-[5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]piperidin-4-yl]methanone
PubChem CID97011736
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name(4-hydroxyphenyl)-[1-[5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(O)cc1)C1CCN(C(=O)c2ncoc2[C@@H]2CCCO2)CC1
InChIInChI=1S/C20H22N2O5/c23-15-5-3-13(4-6-15)18(24)14-7-9-22(10-8-14)20(25)17-19(27-12-21-17)16-2-1-11-26-16/h3-6,12,14,16,23H,1-2,7-11H2/t16-/m0/s1
InChIKeyUHQYSFFLRVTACN-INIZCTEOSA-N
XLogP2.97
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-[1-[5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]piperidin-4-yl]methanone?
The IUPAC name of (4-hydroxyphenyl)-[1-[5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]piperidin-4-yl]methanone (CID 97011736) is (4-hydroxyphenyl)-[1-[5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-hydroxyphenyl)-[1-[5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-hydroxyphenyl)-[1-[5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]piperidin-4-yl]methanone is O=C(c1ccc(O)cc1)C1CCN(C(=O)c2ncoc2[C@@H]2CCCO2)CC1.
What is the InChIKey of (4-hydroxyphenyl)-[1-[5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]piperidin-4-yl]methanone?
The InChIKey is UHQYSFFLRVTACN-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N2O5/c23-15-5-3-13(4-6-15)18(24)14-7-9-22(10-8-14)20(25)17-19(27-12-21-17)16-2-1-11-26-16/h3-6,12,14,16,23H,1-2,7-11H2/t16-/m0/s1.
What are the key properties of (4-hydroxyphenyl)-[1-[5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]piperidin-4-yl]methanone?
(4-hydroxyphenyl)-[1-[5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]piperidin-4-yl]methanone has a molecular weight of 370.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-[1-[5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]piperidin-4-yl]methanone is sourced from PubChem (CID 97011736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).