1-oxo-N-[(3R)-oxolan-3-yl]-N-phenylisochromene-3-carboxamide

C20H17NO4 — CID 124726752

IUPAC1-oxo-N-[(3R)-oxolan-3-yl]-N-phenylisochromene-3-carboxamide
SMILESO=C(c1cc2ccccc2c(=O)o1)N(c1ccccc1)[C@@H]1CCOC1
InChIInChI=1S/C20H17NO4/c22-19(18-12-14-6-4-5-9-17(14)20(23)25-18)21(16-10-11-24-13-16)15-7-2-1-3-8-15/h1-9,12,16H,10-11,13H2/t16-/m1/s1
InChIKeyCJINNRRDRLYASV-MRXNPFEDSA-N
MW335.36 g/mol
LogP3.23
Rot. Bonds3

About 1-oxo-N-[(3R)-oxolan-3-yl]-N-phenylisochromene-3-carboxamide

1-oxo-N-[(3R)-oxolan-3-yl]-N-phenylisochromene-3-carboxamide (PubChem CID 124726752) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-oxo-N-[(3R)-oxolan-3-yl]-N-phenylisochromene-3-carboxamide.

Molecular Properties

Compound Name1-oxo-N-[(3R)-oxolan-3-yl]-N-phenylisochromene-3-carboxamide
PubChem CID124726752
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name1-oxo-N-[(3R)-oxolan-3-yl]-N-phenylisochromene-3-carboxamide
SMILESO=C(c1cc2ccccc2c(=O)o1)N(c1ccccc1)[C@@H]1CCOC1
InChIInChI=1S/C20H17NO4/c22-19(18-12-14-6-4-5-9-17(14)20(23)25-18)21(16-10-11-24-13-16)15-7-2-1-3-8-15/h1-9,12,16H,10-11,13H2/t16-/m1/s1
InChIKeyCJINNRRDRLYASV-MRXNPFEDSA-N
XLogP3.23
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-N-[(3R)-oxolan-3-yl]-N-phenylisochromene-3-carboxamide?
The IUPAC name of 1-oxo-N-[(3R)-oxolan-3-yl]-N-phenylisochromene-3-carboxamide (CID 124726752) is 1-oxo-N-[(3R)-oxolan-3-yl]-N-phenylisochromene-3-carboxamide.
What is the SMILES notation for 1-oxo-N-[(3R)-oxolan-3-yl]-N-phenylisochromene-3-carboxamide?
The canonical SMILES for 1-oxo-N-[(3R)-oxolan-3-yl]-N-phenylisochromene-3-carboxamide is O=C(c1cc2ccccc2c(=O)o1)N(c1ccccc1)[C@@H]1CCOC1.
What is the InChIKey of 1-oxo-N-[(3R)-oxolan-3-yl]-N-phenylisochromene-3-carboxamide?
The InChIKey is CJINNRRDRLYASV-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H17NO4/c22-19(18-12-14-6-4-5-9-17(14)20(23)25-18)21(16-10-11-24-13-16)15-7-2-1-3-8-15/h1-9,12,16H,10-11,13H2/t16-/m1/s1.
What are the key properties of 1-oxo-N-[(3R)-oxolan-3-yl]-N-phenylisochromene-3-carboxamide?
1-oxo-N-[(3R)-oxolan-3-yl]-N-phenylisochromene-3-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-N-[(3R)-oxolan-3-yl]-N-phenylisochromene-3-carboxamide is sourced from PubChem (CID 124726752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).