5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1,2-oxazol-3-one

C19H16N2O3 — CID 162366432

IUPAC5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1,2-oxazol-3-one
SMILESCOc1ccc(Cn2ccc3ccc(-c4cc(=O)[nH]o4)cc32)cc1
InChIInChI=1S/C19H16N2O3/c1-23-16-6-2-13(3-7-16)12-21-9-8-14-4-5-15(10-17(14)21)18-11-19(22)20-24-18/h2-11H,12H2,1H3,(H,20,22)
InChIKeyOGUDIFZJZYWZEN-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.65
Rot. Bonds4

About 5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1,2-oxazol-3-one

5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1,2-oxazol-3-one (PubChem CID 162366432) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1,2-oxazol-3-one
PubChem CID162366432
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1,2-oxazol-3-one
SMILESCOc1ccc(Cn2ccc3ccc(-c4cc(=O)[nH]o4)cc32)cc1
InChIInChI=1S/C19H16N2O3/c1-23-16-6-2-13(3-7-16)12-21-9-8-14-4-5-15(10-17(14)21)18-11-19(22)20-24-18/h2-11H,12H2,1H3,(H,20,22)
InChIKeyOGUDIFZJZYWZEN-UHFFFAOYSA-N
XLogP3.65
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1,2-oxazol-3-one?
The IUPAC name of 5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1,2-oxazol-3-one (CID 162366432) is 5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1,2-oxazol-3-one is COc1ccc(Cn2ccc3ccc(-c4cc(=O)[nH]o4)cc32)cc1.
What is the InChIKey of 5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1,2-oxazol-3-one?
The InChIKey is OGUDIFZJZYWZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-23-16-6-2-13(3-7-16)12-21-9-8-14-4-5-15(10-17(14)21)18-11-19(22)20-24-18/h2-11H,12H2,1H3,(H,20,22).
What are the key properties of 5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1,2-oxazol-3-one?
5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1,2-oxazol-3-one has a molecular weight of 320.35 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1,2-oxazol-3-one is sourced from PubChem (CID 162366432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).