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

C9H8FNO — CID 11412578

IUPAC2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(C2=NCCO2)c1
InChIInChI=1S/C9H8FNO/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6H,4-5H2
InChIKeyRHHRXGQPLKIQGQ-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.60
Rot. Bonds1

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

2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 11412578) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID11412578
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(C2=NCCO2)c1
InChIInChI=1S/C9H8FNO/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6H,4-5H2
InChIKeyRHHRXGQPLKIQGQ-UHFFFAOYSA-N
XLogP1.60
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.60
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-Bis(hydroxymethyl)-2-phenyl-2-oxazoline
CID 254960
4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
2-Phenyl-5,6-dihydro-4H-1,3-oxazine
CID 293673
Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1)
CID 79249
(4-Methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanol
CID 226853
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole (CID 11412578) is 2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole is Fc1cccc(C2=NCCO2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is RHHRXGQPLKIQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6H,4-5H2.
What are the key properties of 2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole?
2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 165.17 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11412578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).