(3,4-difluorophenyl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone

C16H13F2NO2 — CID 110740441

IUPAC(3,4-difluorophenyl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1COC(c2ccccc2)C1
InChIInChI=1S/C16H13F2NO2/c17-13-7-6-12(8-14(13)18)16(20)19-9-15(21-10-19)11-4-2-1-3-5-11/h1-8,15H,9-10H2
InChIKeyDQAVJHURQZIFAJ-UHFFFAOYSA-N
MW289.28 g/mol
LogP3.14
Rot. Bonds2

About (3,4-difluorophenyl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone

(3,4-difluorophenyl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone (PubChem CID 110740441) has the molecular formula C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone
PubChem CID110740441
Molecular FormulaC16H13F2NO2
Molecular Weight289.28 g/mol
Exact Mass289.09
IUPAC Name(3,4-difluorophenyl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1COC(c2ccccc2)C1
InChIInChI=1S/C16H13F2NO2/c17-13-7-6-12(8-14(13)18)16(20)19-9-15(21-10-19)11-4-2-1-3-5-11/h1-8,15H,9-10H2
InChIKeyDQAVJHURQZIFAJ-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-bromophenyl)morpholin-4-yl]-(3,4-difluorophenyl)methanone
CID 110364434
(3,4-difluorophenyl)-[2-(4-ethylphenyl)morpholin-4-yl]methanone
CID 110364027
3,4-difluoro-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzamide
CID 51866429
(6-fluoro-3-pyridinyl)-(2-phenylmorpholin-4-yl)methanone
CID 63979909
(3-bromo-5-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone
CID 110629876
(3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 16894714
(3-fluoro-4-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone
CID 146427603
3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 27557872
(3-fluoro-4-hydroxyphenyl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone;formic acid
CID 155971983
(3,4-difluorophenyl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 164699015
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
(3,4-difluorophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658326

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone (CID 110740441) is (3,4-difluorophenyl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone is O=C(c1ccc(F)c(F)c1)N1COC(c2ccccc2)C1.
What is the InChIKey of (3,4-difluorophenyl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone?
The InChIKey is DQAVJHURQZIFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO2/c17-13-7-6-12(8-14(13)18)16(20)19-9-15(21-10-19)11-4-2-1-3-5-11/h1-8,15H,9-10H2.
What are the key properties of (3,4-difluorophenyl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone?
(3,4-difluorophenyl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone has a molecular weight of 289.28 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone is sourced from PubChem (CID 110740441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).