(4S)-3-(4-methyl-3H-indol-6-yl)-4-phenyl-1,3-oxazolidin-2-one

C18H16N2O2 — CID 58229052

IUPAC(4S)-3-(4-methyl-3H-indol-6-yl)-4-phenyl-1,3-oxazolidin-2-one
SMILESCc1cc(N2C(=O)OC[C@@H]2c2ccccc2)cc2c1CC=N2
InChIInChI=1S/C18H16N2O2/c1-12-9-14(10-16-15(12)7-8-19-16)20-17(11-22-18(20)21)13-5-3-2-4-6-13/h2-6,8-10,17H,7,11H2,1H3/t17-/m1/s1
InChIKeyHVZHAJZYQZVSCG-QGZVFWFLSA-N
MW292.34 g/mol
LogP3.95
Rot. Bonds2

About (4S)-3-(4-methyl-3H-indol-6-yl)-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-(4-methyl-3H-indol-6-yl)-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 58229052) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (4S)-3-(4-methyl-3H-indol-6-yl)-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(4-methyl-3H-indol-6-yl)-4-phenyl-1,3-oxazolidin-2-one
PubChem CID58229052
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name(4S)-3-(4-methyl-3H-indol-6-yl)-4-phenyl-1,3-oxazolidin-2-one
SMILESCc1cc(N2C(=O)OC[C@@H]2c2ccccc2)cc2c1CC=N2
InChIInChI=1S/C18H16N2O2/c1-12-9-14(10-16-15(12)7-8-19-16)20-17(11-22-18(20)21)13-5-3-2-4-6-13/h2-6,8-10,17H,7,11H2,1H3/t17-/m1/s1
InChIKeyHVZHAJZYQZVSCG-QGZVFWFLSA-N
XLogP3.95
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(4-methyl-3H-indol-6-yl)-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(4-methyl-3H-indol-6-yl)-4-phenyl-1,3-oxazolidin-2-one (CID 58229052) is (4S)-3-(4-methyl-3H-indol-6-yl)-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(4-methyl-3H-indol-6-yl)-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(4-methyl-3H-indol-6-yl)-4-phenyl-1,3-oxazolidin-2-one is Cc1cc(N2C(=O)OC[C@@H]2c2ccccc2)cc2c1CC=N2.
What is the InChIKey of (4S)-3-(4-methyl-3H-indol-6-yl)-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is HVZHAJZYQZVSCG-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-9-14(10-16-15(12)7-8-19-16)20-17(11-22-18(20)21)13-5-3-2-4-6-13/h2-6,8-10,17H,7,11H2,1H3/t17-/m1/s1.
What are the key properties of (4S)-3-(4-methyl-3H-indol-6-yl)-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-(4-methyl-3H-indol-6-yl)-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 292.34 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(4-methyl-3H-indol-6-yl)-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58229052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).