1-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[(1R,2R)-2-methylcyclopentyl]urea

C16H20FN3O3 — CID 95308998

IUPAC1-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[(1R,2R)-2-methylcyclopentyl]urea
SMILESC[C@@H]1CCC[C@H]1NC(=O)Nc1cc(N2CCOC2=O)ccc1F
InChIInChI=1S/C16H20FN3O3/c1-10-3-2-4-13(10)18-15(21)19-14-9-11(5-6-12(14)17)20-7-8-23-16(20)22/h5-6,9-10,13H,2-4,7-8H2,1H3,(H2,18,19,21)/t10-,13-/m1/s1
InChIKeyZBFGWVKMOVARCG-ZWNOBZJWSA-N
MW321.35 g/mol
LogP3.09
Rot. Bonds3

About 1-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[(1R,2R)-2-methylcyclopentyl]urea

1-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[(1R,2R)-2-methylcyclopentyl]urea (PubChem CID 95308998) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 1-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[(1R,2R)-2-methylcyclopentyl]urea.

Molecular Properties

Compound Name1-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[(1R,2R)-2-methylcyclopentyl]urea
PubChem CID95308998
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name1-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[(1R,2R)-2-methylcyclopentyl]urea
SMILESC[C@@H]1CCC[C@H]1NC(=O)Nc1cc(N2CCOC2=O)ccc1F
InChIInChI=1S/C16H20FN3O3/c1-10-3-2-4-13(10)18-15(21)19-14-9-11(5-6-12(14)17)20-7-8-23-16(20)22/h5-6,9-10,13H,2-4,7-8H2,1H3,(H2,18,19,21)/t10-,13-/m1/s1
InChIKeyZBFGWVKMOVARCG-ZWNOBZJWSA-N
XLogP3.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[(1R,2R)-2-methylcyclopentyl]urea with MolForge

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Related Compounds

4-fluoro-3-[(2-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61190333
(2R)-2-(2,5-dimethylfuran-3-yl)-N-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propanamide
CID 95160900
5-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 47704137
2,6-dichloro-N-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyridine-3-carboxamide
CID 52803736
N-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]quinoline-4-carboxamide
CID 60576249
5-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
CID 63279157
4-fluoro-3-[(2-methylcyclopropyl)carbamoylamino]benzoic acid
CID 62410543
3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one
CID 104779667
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[(1R,2S)-2-methylcyclohexyl]urea
CID 51928226
1-(5-chloro-2-fluorophenyl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CID 8677328
1-(2,5-difluorophenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8668974
4-bromo-3-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
CID 107814156

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[(1R,2R)-2-methylcyclopentyl]urea?
The IUPAC name of 1-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[(1R,2R)-2-methylcyclopentyl]urea (CID 95308998) is 1-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[(1R,2R)-2-methylcyclopentyl]urea.
What is the SMILES notation for 1-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[(1R,2R)-2-methylcyclopentyl]urea?
The canonical SMILES for 1-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[(1R,2R)-2-methylcyclopentyl]urea is C[C@@H]1CCC[C@H]1NC(=O)Nc1cc(N2CCOC2=O)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[(1R,2R)-2-methylcyclopentyl]urea?
The InChIKey is ZBFGWVKMOVARCG-ZWNOBZJWSA-N. The full InChI is InChI=1S/C16H20FN3O3/c1-10-3-2-4-13(10)18-15(21)19-14-9-11(5-6-12(14)17)20-7-8-23-16(20)22/h5-6,9-10,13H,2-4,7-8H2,1H3,(H2,18,19,21)/t10-,13-/m1/s1.
What are the key properties of 1-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[(1R,2R)-2-methylcyclopentyl]urea?
1-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[(1R,2R)-2-methylcyclopentyl]urea has a molecular weight of 321.35 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[(1R,2R)-2-methylcyclopentyl]urea is sourced from PubChem (CID 95308998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).