3-[2-[1,3-bis(2-hydroxyethyl)-2-oxo-5-phenylimidazolidin-4-yl]phenyl]-1,3-oxazolidin-2-one

C22H25N3O5 — CID 135564070

IUPAC3-[2-[1,3-bis(2-hydroxyethyl)-2-oxo-5-phenylimidazolidin-4-yl]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccccc1C1C(c2ccccc2)N(CCO)C(=O)N1CCO
InChIInChI=1S/C22H25N3O5/c26-13-10-24-19(16-6-2-1-3-7-16)20(25(11-14-27)21(24)28)17-8-4-5-9-18(17)23-12-15-30-22(23)29/h1-9,19-20,26-27H,10-15H2
InChIKeyYAACMXODZJUUHS-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.15
Rot. Bonds7

About 3-[2-[1,3-bis(2-hydroxyethyl)-2-oxo-5-phenylimidazolidin-4-yl]phenyl]-1,3-oxazolidin-2-one

3-[2-[1,3-bis(2-hydroxyethyl)-2-oxo-5-phenylimidazolidin-4-yl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 135564070) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is 3-[2-[1,3-bis(2-hydroxyethyl)-2-oxo-5-phenylimidazolidin-4-yl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[1,3-bis(2-hydroxyethyl)-2-oxo-5-phenylimidazolidin-4-yl]phenyl]-1,3-oxazolidin-2-one
PubChem CID135564070
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name3-[2-[1,3-bis(2-hydroxyethyl)-2-oxo-5-phenylimidazolidin-4-yl]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccccc1C1C(c2ccccc2)N(CCO)C(=O)N1CCO
InChIInChI=1S/C22H25N3O5/c26-13-10-24-19(16-6-2-1-3-7-16)20(25(11-14-27)21(24)28)17-8-4-5-9-18(17)23-12-15-30-22(23)29/h1-9,19-20,26-27H,10-15H2
InChIKeyYAACMXODZJUUHS-UHFFFAOYSA-N
XLogP2.15
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[1,3-bis(2-hydroxyethyl)-2-oxo-5-phenylimidazolidin-4-yl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[1,3-bis(2-hydroxyethyl)-2-oxo-5-phenylimidazolidin-4-yl]phenyl]-1,3-oxazolidin-2-one (CID 135564070) is 3-[2-[1,3-bis(2-hydroxyethyl)-2-oxo-5-phenylimidazolidin-4-yl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[1,3-bis(2-hydroxyethyl)-2-oxo-5-phenylimidazolidin-4-yl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[1,3-bis(2-hydroxyethyl)-2-oxo-5-phenylimidazolidin-4-yl]phenyl]-1,3-oxazolidin-2-one is O=C1OCCN1c1ccccc1C1C(c2ccccc2)N(CCO)C(=O)N1CCO.
What is the InChIKey of 3-[2-[1,3-bis(2-hydroxyethyl)-2-oxo-5-phenylimidazolidin-4-yl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is YAACMXODZJUUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c26-13-10-24-19(16-6-2-1-3-7-16)20(25(11-14-27)21(24)28)17-8-4-5-9-18(17)23-12-15-30-22(23)29/h1-9,19-20,26-27H,10-15H2.
What are the key properties of 3-[2-[1,3-bis(2-hydroxyethyl)-2-oxo-5-phenylimidazolidin-4-yl]phenyl]-1,3-oxazolidin-2-one?
3-[2-[1,3-bis(2-hydroxyethyl)-2-oxo-5-phenylimidazolidin-4-yl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 411.46 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1,3-bis(2-hydroxyethyl)-2-oxo-5-phenylimidazolidin-4-yl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135564070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).