1-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenylurea

C17H16FN3O3 — CID 110327677

IUPAC1-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenylurea
SMILESO=C(NCC1CN(c2cccc(F)c2)C(=O)O1)Nc1ccccc1
InChIInChI=1S/C17H16FN3O3/c18-12-5-4-8-14(9-12)21-11-15(24-17(21)23)10-19-16(22)20-13-6-2-1-3-7-13/h1-9,15H,10-11H2,(H2,19,20,22)
InChIKeyCSHUQJUBJQIFQG-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.97
Rot. Bonds4

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

1-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenylurea (PubChem CID 110327677) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 1-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenylurea
PubChem CID110327677
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name1-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenylurea
SMILESO=C(NCC1CN(c2cccc(F)c2)C(=O)O1)Nc1ccccc1
InChIInChI=1S/C17H16FN3O3/c18-12-5-4-8-14(9-12)21-11-15(24-17(21)23)10-19-16(22)20-13-6-2-1-3-7-13/h1-9,15H,10-11H2,(H2,19,20,22)
InChIKeyCSHUQJUBJQIFQG-UHFFFAOYSA-N
XLogP2.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]urea
CID 16922883
3-fluoro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920440
N-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,2-dimethylpropanamide
CID 110327642
[(5S)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylthiourea
CID 141073578
2-chloro-N-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327680
N-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3,4-dimethylbenzamide
CID 110327662
N-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide
CID 40926357
3-(3-fluorophenyl)-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 77164925
3-fluoro-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 16920742
1-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-phenylurea
CID 110315593
N-[3-[5-(anilinomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]benzamide
CID 11409453
2-fluoro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920439

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenylurea?
The IUPAC name of 1-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenylurea (CID 110327677) is 1-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenylurea.
What is the SMILES notation for 1-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenylurea?
The canonical SMILES for 1-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenylurea is O=C(NCC1CN(c2cccc(F)c2)C(=O)O1)Nc1ccccc1.
What is the InChIKey of 1-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenylurea?
The InChIKey is CSHUQJUBJQIFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c18-12-5-4-8-14(9-12)21-11-15(24-17(21)23)10-19-16(22)20-13-6-2-1-3-7-13/h1-9,15H,10-11H2,(H2,19,20,22).
What are the key properties of 1-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenylurea?
1-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenylurea has a molecular weight of 329.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenylurea is sourced from PubChem (CID 110327677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).