4-(difluoromethyl)-5-phenyl-1,3-oxazolidin-2-one

C10H9F2NO2 — CID 84723470

IUPAC4-(difluoromethyl)-5-phenyl-1,3-oxazolidin-2-one
SMILESO=C1NC(C(F)F)C(c2ccccc2)O1
InChIInChI=1S/C10H9F2NO2/c11-9(12)7-8(15-10(14)13-7)6-4-2-1-3-5-6/h1-5,7-9H,(H,13,14)
InChIKeyNGXMWVKGXJYDKY-UHFFFAOYSA-N
MW213.18 g/mol
LogP2.10
Rot. Bonds2

About 4-(difluoromethyl)-5-phenyl-1,3-oxazolidin-2-one

4-(difluoromethyl)-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 84723470) has the molecular formula C10H9F2NO2 and a molecular weight of 213.18 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-5-phenyl-1,3-oxazolidin-2-one
PubChem CID84723470
Molecular FormulaC10H9F2NO2
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC Name4-(difluoromethyl)-5-phenyl-1,3-oxazolidin-2-one
SMILESO=C1NC(C(F)F)C(c2ccccc2)O1
InChIInChI=1S/C10H9F2NO2/c11-9(12)7-8(15-10(14)13-7)6-4-2-1-3-5-6/h1-5,7-9H,(H,13,14)
InChIKeyNGXMWVKGXJYDKY-UHFFFAOYSA-N
XLogP2.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S,5S)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 70829759
2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoic acid
CID 57373165
2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoate
CID 57373164
(4S,5R)-4-(chloromethyl)-5-phenyl-1,3-oxazolidin-2-one
CID 102031796
(4S,5R)-4-(hydroxymethyl)-5-phenyl-1,3-oxazolidin-2-one
CID 101245141
4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one
CID 14553806
(4R,5R)-4-(3-fluoro-6-phenyl-2-pyridinyl)-5-phenyl-1,3-oxazolidin-2-one
CID 69282181
methyl (4S,5S)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
CID 121224065
(4R,5R)-5-phenyl-4-(5-phenyl-3-pyridinyl)-1,3-oxazolidin-2-one
CID 69282088
N-(4-fluorophenyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxamide
CID 110689144
4-(4-methylpiperidine-1-carbonyl)-5-phenyl-1,3-oxazolidin-2-one
CID 110689071
(5R,6S)-5,6-diphenyl-1,3-oxazinan-2-one
CID 71413482

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(difluoromethyl)-5-phenyl-1,3-oxazolidin-2-one (CID 84723470) is 4-(difluoromethyl)-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(difluoromethyl)-5-phenyl-1,3-oxazolidin-2-one is O=C1NC(C(F)F)C(c2ccccc2)O1.
What is the InChIKey of 4-(difluoromethyl)-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is NGXMWVKGXJYDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO2/c11-9(12)7-8(15-10(14)13-7)6-4-2-1-3-5-6/h1-5,7-9H,(H,13,14).
What are the key properties of 4-(difluoromethyl)-5-phenyl-1,3-oxazolidin-2-one?
4-(difluoromethyl)-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 213.18 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 84723470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).