1-[(2-fluorophenyl)methyl]-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]urea

C18H18FN3O3 — CID 71940501

IUPAC1-[(2-fluorophenyl)methyl]-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]urea
SMILESO=C(NCc1cccc(N2CCOC2=O)c1)NCc1ccccc1F
InChIInChI=1S/C18H18FN3O3/c19-16-7-2-1-5-14(16)12-21-17(23)20-11-13-4-3-6-15(10-13)22-8-9-25-18(22)24/h1-7,10H,8-9,11-12H2,(H2,20,21,23)
InChIKeyOQDZWTQHCBGFOY-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.78
Rot. Bonds5

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

1-[(2-fluorophenyl)methyl]-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]urea (PubChem CID 71940501) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]urea
PubChem CID71940501
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name1-[(2-fluorophenyl)methyl]-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]urea
SMILESO=C(NCc1cccc(N2CCOC2=O)c1)NCc1ccccc1F
InChIInChI=1S/C18H18FN3O3/c19-16-7-2-1-5-14(16)12-21-17(23)20-11-13-4-3-6-15(10-13)22-8-9-25-18(22)24/h1-7,10H,8-9,11-12H2,(H2,20,21,23)
InChIKeyOQDZWTQHCBGFOY-UHFFFAOYSA-N
XLogP2.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropyl)-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]urea
CID 60562162
1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)urea
CID 166185041
3-(2-methoxyphenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]propanamide
CID 55932832
N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 55814453
5-(diethylsulfamoyl)-2-fluoro-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
CID 55814454
3-[3-(ethylaminomethyl)phenyl]-1,3-oxazinan-2-one
CID 61349238
5-bromo-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide
CID 55814674
N-[3-methyl-1-oxo-1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methylamino]pentan-2-yl]benzamide
CID 55814917
3-[3-[(1S)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 97107841
1-[(2-fluorophenyl)methyl]-3-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]urea
CID 52502638
2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetaldehyde
CID 57444342
4-cyclopentyloxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
CID 55934364

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]urea?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]urea (CID 71940501) is 1-[(2-fluorophenyl)methyl]-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]urea.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]urea?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]urea is O=C(NCc1cccc(N2CCOC2=O)c1)NCc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]urea?
The InChIKey is OQDZWTQHCBGFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c19-16-7-2-1-5-14(16)12-21-17(23)20-11-13-4-3-6-15(10-13)22-8-9-25-18(22)24/h1-7,10H,8-9,11-12H2,(H2,20,21,23).
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]urea?
1-[(2-fluorophenyl)methyl]-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]urea has a molecular weight of 343.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]urea is sourced from PubChem (CID 71940501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).