2-(2,4-difluorophenyl)-4,5-dihydro-1,3-oxazole

C9H7F2NO — CID 101438902

IUPAC2-(2,4-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1ccc(C2=NCCO2)c(F)c1
InChIInChI=1S/C9H7F2NO/c10-6-1-2-7(8(11)5-6)9-12-3-4-13-9/h1-2,5H,3-4H2
InChIKeyGBBDKWUPTMJKEW-UHFFFAOYSA-N
MW183.16 g/mol
LogP1.74
Rot. Bonds1

About 2-(2,4-difluorophenyl)-4,5-dihydro-1,3-oxazole

2-(2,4-difluorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 101438902) has the molecular formula C9H7F2NO and a molecular weight of 183.16 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID101438902
Molecular FormulaC9H7F2NO
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name2-(2,4-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1ccc(C2=NCCO2)c(F)c1
InChIInChI=1S/C9H7F2NO/c10-6-1-2-7(8(11)5-6)9-12-3-4-13-9/h1-2,5H,3-4H2
InChIKeyGBBDKWUPTMJKEW-UHFFFAOYSA-N
XLogP1.74
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenyl-2-oxazoline
CID 244030
Oxazole, 2,2'-(1,3-phenylene)bis[4,5-dihydro-
CID 604269
Azlactone
CID 65073
4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
2-Phenyl-5,6-dihydro-4H-1,3-oxazine
CID 293673
2,2'-(1,4-Phenylene)bis(4,5-dihydrooxazole)
CID 81929
4,4-Dimethyl-2-(2-(methylseleno)phenyl)-2-oxazoline
CID 3517846
4,5-Dihydro-2-[3-(trifluoromethyl)phenyl]-oxazole
CID 67984069
(4S)-2-(3-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
CID 17756809
Oxazole, 2-(4-fluorophenyl)-4,5-dihydro-4,4-dimethyl-
CID 156132
Mls002667700
CID 244135
2-(4-Methylphenyl)oxazoline
CID 3770227

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,4-difluorophenyl)-4,5-dihydro-1,3-oxazole (CID 101438902) is 2-(2,4-difluorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,4-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,4-difluorophenyl)-4,5-dihydro-1,3-oxazole is Fc1ccc(C2=NCCO2)c(F)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is GBBDKWUPTMJKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO/c10-6-1-2-7(8(11)5-6)9-12-3-4-13-9/h1-2,5H,3-4H2.
What are the key properties of 2-(2,4-difluorophenyl)-4,5-dihydro-1,3-oxazole?
2-(2,4-difluorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 183.16 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 101438902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).