1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea

C18H16Cl2FN3O3 — CID 16923195

IUPAC1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccc(F)cc1)NCC1CN(c2ccc(Cl)c(Cl)c2)C(=O)O1
InChIInChI=1S/C18H16Cl2FN3O3/c19-15-6-5-13(7-16(15)20)24-10-14(27-18(24)26)9-23-17(25)22-8-11-1-3-12(21)4-2-11/h1-7,14H,8-10H2,(H2,22,23,25)
InChIKeyXELMQNDJIKLMAI-UHFFFAOYSA-N
MW412.25 g/mol
LogP3.96
Rot. Bonds5

About 1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea

1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea (PubChem CID 16923195) has the molecular formula C18H16Cl2FN3O3 and a molecular weight of 412.25 g/mol. Its IUPAC name is 1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea
PubChem CID16923195
Molecular FormulaC18H16Cl2FN3O3
Molecular Weight412.25 g/mol
Exact Mass411.06
IUPAC Name1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccc(F)cc1)NCC1CN(c2ccc(Cl)c(Cl)c2)C(=O)O1
InChIInChI=1S/C18H16Cl2FN3O3/c19-15-6-5-13(7-16(15)20)24-10-14(27-18(24)26)9-23-17(25)22-8-11-1-3-12(21)4-2-11/h1-7,14H,8-10H2,(H2,22,23,25)
InChIKeyXELMQNDJIKLMAI-UHFFFAOYSA-N
XLogP3.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.25
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea (CID 16923195) is 1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea is O=C(NCc1ccc(F)cc1)NCC1CN(c2ccc(Cl)c(Cl)c2)C(=O)O1.
What is the InChIKey of 1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is XELMQNDJIKLMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2FN3O3/c19-15-6-5-13(7-16(15)20)24-10-14(27-18(24)26)9-23-17(25)22-8-11-1-3-12(21)4-2-11/h1-7,14H,8-10H2,(H2,22,23,25).
What are the key properties of 1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea?
1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 412.25 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 16923195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).