3-amino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione

C16H14N2O4 — CID 151405336

IUPAC3-amino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione
SMILESCC1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(N)C1=O
InChIInChI=1S/C16H14N2O4/c1-16(14(19)18(17)15(20)22-16)11-7-9-13(10-8-11)21-12-5-3-2-4-6-12/h2-10H,17H2,1H3
InChIKeyOXJLVBNTVPAHGP-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.55
Rot. Bonds3

About 3-amino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione

3-amino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione (PubChem CID 151405336) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 3-amino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-amino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione
PubChem CID151405336
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name3-amino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione
SMILESCC1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(N)C1=O
InChIInChI=1S/C16H14N2O4/c1-16(14(19)18(17)15(20)22-16)11-7-9-13(10-8-11)21-12-5-3-2-4-6-12/h2-10H,17H2,1H3
InChIKeyOXJLVBNTVPAHGP-UHFFFAOYSA-N
XLogP2.55
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-amino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione (CID 151405336) is 3-amino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-amino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-amino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione is CC1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(N)C1=O.
What is the InChIKey of 3-amino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione?
The InChIKey is OXJLVBNTVPAHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-16(14(19)18(17)15(20)22-16)11-7-9-13(10-8-11)21-12-5-3-2-4-6-12/h2-10H,17H2,1H3.
What are the key properties of 3-amino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione?
3-amino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione has a molecular weight of 298.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 151405336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).