(4S)-3-(3-azulen-1-ylpropanoyl)-4-benzyl-1,3-oxazolidin-2-one

C23H21NO3 — CID 15432210

IUPAC(4S)-3-(3-azulen-1-ylpropanoyl)-4-benzyl-1,3-oxazolidin-2-one
SMILESO=C(CCc1ccc2cccccc1-2)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C23H21NO3/c25-22(14-13-19-12-11-18-9-5-2-6-10-21(18)19)24-20(16-27-23(24)26)15-17-7-3-1-4-8-17/h1-12,20H,13-16H2/t20-/m0/s1
InChIKeyHWJFVVYHBGLRRE-FQEVSTJZSA-N
MW359.43 g/mol
LogP4.31
Rot. Bonds5

About (4S)-3-(3-azulen-1-ylpropanoyl)-4-benzyl-1,3-oxazolidin-2-one

(4S)-3-(3-azulen-1-ylpropanoyl)-4-benzyl-1,3-oxazolidin-2-one (PubChem CID 15432210) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is (4S)-3-(3-azulen-1-ylpropanoyl)-4-benzyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(3-azulen-1-ylpropanoyl)-4-benzyl-1,3-oxazolidin-2-one
PubChem CID15432210
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name(4S)-3-(3-azulen-1-ylpropanoyl)-4-benzyl-1,3-oxazolidin-2-one
SMILESO=C(CCc1ccc2cccccc1-2)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C23H21NO3/c25-22(14-13-19-12-11-18-9-5-2-6-10-21(18)19)24-20(16-27-23(24)26)15-17-7-3-1-4-8-17/h1-12,20H,13-16H2/t20-/m0/s1
InChIKeyHWJFVVYHBGLRRE-FQEVSTJZSA-N
XLogP4.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(3-azulen-1-ylpropanoyl)-4-benzyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(3-azulen-1-ylpropanoyl)-4-benzyl-1,3-oxazolidin-2-one (CID 15432210) is (4S)-3-(3-azulen-1-ylpropanoyl)-4-benzyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(3-azulen-1-ylpropanoyl)-4-benzyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(3-azulen-1-ylpropanoyl)-4-benzyl-1,3-oxazolidin-2-one is O=C(CCc1ccc2cccccc1-2)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-3-(3-azulen-1-ylpropanoyl)-4-benzyl-1,3-oxazolidin-2-one?
The InChIKey is HWJFVVYHBGLRRE-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H21NO3/c25-22(14-13-19-12-11-18-9-5-2-6-10-21(18)19)24-20(16-27-23(24)26)15-17-7-3-1-4-8-17/h1-12,20H,13-16H2/t20-/m0/s1.
What are the key properties of (4S)-3-(3-azulen-1-ylpropanoyl)-4-benzyl-1,3-oxazolidin-2-one?
(4S)-3-(3-azulen-1-ylpropanoyl)-4-benzyl-1,3-oxazolidin-2-one has a molecular weight of 359.43 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(3-azulen-1-ylpropanoyl)-4-benzyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15432210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).