4-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzonitrile

C23H17N3O4 — CID 56679688

IUPAC4-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzonitrile
SMILESCC1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccc(C#N)cc2)C1=O
InChIInChI=1S/C23H17N3O4/c1-23(17-9-13-20(14-10-17)29-19-5-3-2-4-6-19)21(27)26(22(28)30-23)25-18-11-7-16(15-24)8-12-18/h2-14,25H,1H3
InChIKeyIFLCIGGNSACPFE-UHFFFAOYSA-N
MW399.41 g/mol
LogP4.57
Rot. Bonds5

About 4-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzonitrile

4-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzonitrile (PubChem CID 56679688) has the molecular formula C23H17N3O4 and a molecular weight of 399.41 g/mol. Its IUPAC name is 4-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzonitrile
PubChem CID56679688
Molecular FormulaC23H17N3O4
Molecular Weight399.41 g/mol
Exact Mass399.12
IUPAC Name4-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzonitrile
SMILESCC1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccc(C#N)cc2)C1=O
InChIInChI=1S/C23H17N3O4/c1-23(17-9-13-20(14-10-17)29-19-5-3-2-4-6-19)21(27)26(22(28)30-23)25-18-11-7-16(15-24)8-12-18/h2-14,25H,1H3
InChIKeyIFLCIGGNSACPFE-UHFFFAOYSA-N
XLogP4.57
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzonitrile?
The IUPAC name of 4-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzonitrile (CID 56679688) is 4-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzonitrile?
The canonical SMILES for 4-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzonitrile is CC1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccc(C#N)cc2)C1=O.
What is the InChIKey of 4-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzonitrile?
The InChIKey is IFLCIGGNSACPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O4/c1-23(17-9-13-20(14-10-17)29-19-5-3-2-4-6-19)21(27)26(22(28)30-23)25-18-11-7-16(15-24)8-12-18/h2-14,25H,1H3.
What are the key properties of 4-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzonitrile?
4-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzonitrile has a molecular weight of 399.41 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzonitrile is sourced from PubChem (CID 56679688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).