3-methyl-5-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]-1,3-benzoxazol-2-one

C27H25N3O5 — CID 137350501

IUPAC3-methyl-5-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]-1,3-benzoxazol-2-one
SMILESCc1c([C@@H]2CN(Cc3ccc(-c4ccc5oc(=O)n(C)c5c4)nc3)CCO2)ccc2c1COC2=O
InChIInChI=1S/C27H25N3O5/c1-16-19(5-6-20-21(16)15-34-26(20)31)25-14-30(9-10-33-25)13-17-3-7-22(28-12-17)18-4-8-24-23(11-18)29(2)27(32)35-24/h3-8,11-12,25H,9-10,13-15H2,1-2H3/t25-/m0/s1
InChIKeyZAJQMOZTJFCFOX-VWLOTQADSA-N
MW471.51 g/mol
LogP3.75
Rot. Bonds4

About 3-methyl-5-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]-1,3-benzoxazol-2-one

3-methyl-5-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]-1,3-benzoxazol-2-one (PubChem CID 137350501) has the molecular formula C27H25N3O5 and a molecular weight of 471.51 g/mol. Its IUPAC name is 3-methyl-5-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-5-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]-1,3-benzoxazol-2-one
PubChem CID137350501
Molecular FormulaC27H25N3O5
Molecular Weight471.51 g/mol
Exact Mass471.18
IUPAC Name3-methyl-5-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]-1,3-benzoxazol-2-one
SMILESCc1c([C@@H]2CN(Cc3ccc(-c4ccc5oc(=O)n(C)c5c4)nc3)CCO2)ccc2c1COC2=O
InChIInChI=1S/C27H25N3O5/c1-16-19(5-6-20-21(16)15-34-26(20)31)25-14-30(9-10-33-25)13-17-3-7-22(28-12-17)18-4-8-24-23(11-18)29(2)27(32)35-24/h3-8,11-12,25H,9-10,13-15H2,1-2H3/t25-/m0/s1
InChIKeyZAJQMOZTJFCFOX-VWLOTQADSA-N
XLogP3.75
TPSA86.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-methyl-5-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]-1,3-benzoxazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-5-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]-1,3-benzoxazol-2-one (CID 137350501) is 3-methyl-5-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-5-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-5-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]-1,3-benzoxazol-2-one is Cc1c([C@@H]2CN(Cc3ccc(-c4ccc5oc(=O)n(C)c5c4)nc3)CCO2)ccc2c1COC2=O.
What is the InChIKey of 3-methyl-5-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]-1,3-benzoxazol-2-one?
The InChIKey is ZAJQMOZTJFCFOX-VWLOTQADSA-N. The full InChI is InChI=1S/C27H25N3O5/c1-16-19(5-6-20-21(16)15-34-26(20)31)25-14-30(9-10-33-25)13-17-3-7-22(28-12-17)18-4-8-24-23(11-18)29(2)27(32)35-24/h3-8,11-12,25H,9-10,13-15H2,1-2H3/t25-/m0/s1.
What are the key properties of 3-methyl-5-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]-1,3-benzoxazol-2-one?
3-methyl-5-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]-1,3-benzoxazol-2-one has a molecular weight of 471.51 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 137350501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).