5-[5-[[[(2S)-2-hydroxy-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-methylamino]methyl]-2-pyridinyl]-3-methyl-1,3-benzoxazol-2-one

C25H24N4O5 — CID 155883754

IUPAC5-[5-[[[(2S)-2-hydroxy-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-methylamino]methyl]-2-pyridinyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCN(Cc1ccc(-c2ccc3oc(=O)n(C)c3c2)nc1)C[C@@H](O)c1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C25H24N4O5/c1-27(14-21(30)17-6-9-23-20(11-17)29(3)25(32)34-23)13-15-4-7-18(26-12-15)16-5-8-22-19(10-16)28(2)24(31)33-22/h4-12,21,30H,13-14H2,1-3H3/t21-/m1/s1
InChIKeyXFDYBCILDAERCG-OAQYLSRUSA-N
MW460.49 g/mol
LogP2.80
Rot. Bonds6

About 5-[5-[[[(2S)-2-hydroxy-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-methylamino]methyl]-2-pyridinyl]-3-methyl-1,3-benzoxazol-2-one

5-[5-[[[(2S)-2-hydroxy-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-methylamino]methyl]-2-pyridinyl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 155883754) has the molecular formula C25H24N4O5 and a molecular weight of 460.49 g/mol. Its IUPAC name is 5-[5-[[[(2S)-2-hydroxy-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-methylamino]methyl]-2-pyridinyl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[5-[[[(2S)-2-hydroxy-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-methylamino]methyl]-2-pyridinyl]-3-methyl-1,3-benzoxazol-2-one
PubChem CID155883754
Molecular FormulaC25H24N4O5
Molecular Weight460.49 g/mol
Exact Mass460.17
IUPAC Name5-[5-[[[(2S)-2-hydroxy-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-methylamino]methyl]-2-pyridinyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCN(Cc1ccc(-c2ccc3oc(=O)n(C)c3c2)nc1)C[C@@H](O)c1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C25H24N4O5/c1-27(14-21(30)17-6-9-23-20(11-17)29(3)25(32)34-23)13-15-4-7-18(26-12-15)16-5-8-22-19(10-16)28(2)24(31)33-22/h4-12,21,30H,13-14H2,1-3H3/t21-/m1/s1
InChIKeyXFDYBCILDAERCG-OAQYLSRUSA-N
XLogP2.80
TPSA106.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[5-[[[(2S)-2-hydroxy-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-methylamino]methyl]-2-pyridinyl]-3-methyl-1,3-benzoxazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[[[(2S)-2-hydroxy-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-methylamino]methyl]-2-pyridinyl]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 5-[5-[[[(2S)-2-hydroxy-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-methylamino]methyl]-2-pyridinyl]-3-methyl-1,3-benzoxazol-2-one (CID 155883754) is 5-[5-[[[(2S)-2-hydroxy-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-methylamino]methyl]-2-pyridinyl]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[5-[[[(2S)-2-hydroxy-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-methylamino]methyl]-2-pyridinyl]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[5-[[[(2S)-2-hydroxy-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-methylamino]methyl]-2-pyridinyl]-3-methyl-1,3-benzoxazol-2-one is CN(Cc1ccc(-c2ccc3oc(=O)n(C)c3c2)nc1)C[C@@H](O)c1ccc2oc(=O)n(C)c2c1.
What is the InChIKey of 5-[5-[[[(2S)-2-hydroxy-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-methylamino]methyl]-2-pyridinyl]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is XFDYBCILDAERCG-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H24N4O5/c1-27(14-21(30)17-6-9-23-20(11-17)29(3)25(32)34-23)13-15-4-7-18(26-12-15)16-5-8-22-19(10-16)28(2)24(31)33-22/h4-12,21,30H,13-14H2,1-3H3/t21-/m1/s1.
What are the key properties of 5-[5-[[[(2S)-2-hydroxy-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-methylamino]methyl]-2-pyridinyl]-3-methyl-1,3-benzoxazol-2-one?
5-[5-[[[(2S)-2-hydroxy-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-methylamino]methyl]-2-pyridinyl]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 460.49 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[[[(2S)-2-hydroxy-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-methylamino]methyl]-2-pyridinyl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 155883754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).