2-[(5S)-5-(3-hydroxyphenyl)-3-methyl-1,3-oxazolidin-2-ylidene]indene-1,3-dione

C19H15NO4 — CID 124851035

IUPAC2-[(5S)-5-(3-hydroxyphenyl)-3-methyl-1,3-oxazolidin-2-ylidene]indene-1,3-dione
SMILESCN1C[C@H](c2cccc(O)c2)OC1=C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H15NO4/c1-20-10-15(11-5-4-6-12(21)9-11)24-19(20)16-17(22)13-7-2-3-8-14(13)18(16)23/h2-9,15,21H,10H2,1H3/t15-/m1/s1
InChIKeyRRPBQWGQSXADTA-OAHLLOKOSA-N
MW321.33 g/mol
LogP2.69
Rot. Bonds1

About 2-[(5S)-5-(3-hydroxyphenyl)-3-methyl-1,3-oxazolidin-2-ylidene]indene-1,3-dione

2-[(5S)-5-(3-hydroxyphenyl)-3-methyl-1,3-oxazolidin-2-ylidene]indene-1,3-dione (PubChem CID 124851035) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-[(5S)-5-(3-hydroxyphenyl)-3-methyl-1,3-oxazolidin-2-ylidene]indene-1,3-dione.

Molecular Properties

Compound Name2-[(5S)-5-(3-hydroxyphenyl)-3-methyl-1,3-oxazolidin-2-ylidene]indene-1,3-dione
PubChem CID124851035
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name2-[(5S)-5-(3-hydroxyphenyl)-3-methyl-1,3-oxazolidin-2-ylidene]indene-1,3-dione
SMILESCN1C[C@H](c2cccc(O)c2)OC1=C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H15NO4/c1-20-10-15(11-5-4-6-12(21)9-11)24-19(20)16-17(22)13-7-2-3-8-14(13)18(16)23/h2-9,15,21H,10H2,1H3/t15-/m1/s1
InChIKeyRRPBQWGQSXADTA-OAHLLOKOSA-N
XLogP2.69
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-5-(3-hydroxyphenyl)-3-methyl-1,3-oxazolidin-2-ylidene]indene-1,3-dione?
The IUPAC name of 2-[(5S)-5-(3-hydroxyphenyl)-3-methyl-1,3-oxazolidin-2-ylidene]indene-1,3-dione (CID 124851035) is 2-[(5S)-5-(3-hydroxyphenyl)-3-methyl-1,3-oxazolidin-2-ylidene]indene-1,3-dione.
What is the SMILES notation for 2-[(5S)-5-(3-hydroxyphenyl)-3-methyl-1,3-oxazolidin-2-ylidene]indene-1,3-dione?
The canonical SMILES for 2-[(5S)-5-(3-hydroxyphenyl)-3-methyl-1,3-oxazolidin-2-ylidene]indene-1,3-dione is CN1C[C@H](c2cccc(O)c2)OC1=C1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(5S)-5-(3-hydroxyphenyl)-3-methyl-1,3-oxazolidin-2-ylidene]indene-1,3-dione?
The InChIKey is RRPBQWGQSXADTA-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H15NO4/c1-20-10-15(11-5-4-6-12(21)9-11)24-19(20)16-17(22)13-7-2-3-8-14(13)18(16)23/h2-9,15,21H,10H2,1H3/t15-/m1/s1.
What are the key properties of 2-[(5S)-5-(3-hydroxyphenyl)-3-methyl-1,3-oxazolidin-2-ylidene]indene-1,3-dione?
2-[(5S)-5-(3-hydroxyphenyl)-3-methyl-1,3-oxazolidin-2-ylidene]indene-1,3-dione has a molecular weight of 321.33 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-5-(3-hydroxyphenyl)-3-methyl-1,3-oxazolidin-2-ylidene]indene-1,3-dione is sourced from PubChem (CID 124851035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).