4-(3,4-difluorophenyl)-3H-1,3-oxazol-2-one

C9H5F2NO2 — CID 54313405

IUPAC4-(3,4-difluorophenyl)-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(-c2ccc(F)c(F)c2)co1
InChIInChI=1S/C9H5F2NO2/c10-6-2-1-5(3-7(6)11)8-4-14-9(13)12-8/h1-4H,(H,12,13)
InChIKeySMLUEHIFPINAMN-UHFFFAOYSA-N
MW197.14 g/mol
LogP1.91
Rot. Bonds1

About 4-(3,4-difluorophenyl)-3H-1,3-oxazol-2-one

4-(3,4-difluorophenyl)-3H-1,3-oxazol-2-one (PubChem CID 54313405) has the molecular formula C9H5F2NO2 and a molecular weight of 197.14 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-3H-1,3-oxazol-2-one
PubChem CID54313405
Molecular FormulaC9H5F2NO2
Molecular Weight197.14 g/mol
Exact Mass197.03
IUPAC Name4-(3,4-difluorophenyl)-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(-c2ccc(F)c(F)c2)co1
InChIInChI=1S/C9H5F2NO2/c10-6-2-1-5(3-7(6)11)8-4-14-9(13)12-8/h1-4H,(H,12,13)
InChIKeySMLUEHIFPINAMN-UHFFFAOYSA-N
XLogP1.91
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.14
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Oxazolin-2-one, 4-phenyl-
CID 118669
4-(4-Chlorophenyl)-2,3-dihydro-1,3-oxazol-2-one
CID 11424125
2(3H)-Oxazolone, 4-(1,1'-biphenyl)-4-yl-
CID 214835
4-(4-Bromophenyl)-2,3-dihydro-1,3-oxazol-2-one
CID 91621614
4-[3,5-bis(trifluoromethyl)phenyl]-3H-1,3-oxazol-2-one
CID 125484198
N-[(Z)-1-(4-fluorophenyl)-2-(methoxymethoxy)ethenyl]acetamide
CID 15371794
N-[(Z)-1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethenyl]acetamide
CID 15371795
methyl N-(1-phenylethenyl)carbamate
CID 11636910
Benzyloxazolone
CID 53761601
ethyl N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethenyl]carbamate
CID 2320340
4-(4-Trifluoromethylphenyl)-2-oxazolone
CID 12992958
methyl 3-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]propanoate
CID 21088768

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-3H-1,3-oxazol-2-one?
The IUPAC name of 4-(3,4-difluorophenyl)-3H-1,3-oxazol-2-one (CID 54313405) is 4-(3,4-difluorophenyl)-3H-1,3-oxazol-2-one.
What is the SMILES notation for 4-(3,4-difluorophenyl)-3H-1,3-oxazol-2-one?
The canonical SMILES for 4-(3,4-difluorophenyl)-3H-1,3-oxazol-2-one is O=c1[nH]c(-c2ccc(F)c(F)c2)co1.
What is the InChIKey of 4-(3,4-difluorophenyl)-3H-1,3-oxazol-2-one?
The InChIKey is SMLUEHIFPINAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2NO2/c10-6-2-1-5(3-7(6)11)8-4-14-9(13)12-8/h1-4H,(H,12,13).
What are the key properties of 4-(3,4-difluorophenyl)-3H-1,3-oxazol-2-one?
4-(3,4-difluorophenyl)-3H-1,3-oxazol-2-one has a molecular weight of 197.14 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-3H-1,3-oxazol-2-one is sourced from PubChem (CID 54313405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).