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

C11H12FNO — CID 142244707

IUPAC2-(4-fluorophenyl)-4,5-dimethyl-2,3-dihydro-1,3-oxazole
SMILESCC1=C(C)OC(c2ccc(F)cc2)N1
InChIInChI=1S/C11H12FNO/c1-7-8(2)14-11(13-7)9-3-5-10(12)6-4-9/h3-6,11,13H,1-2H3
InChIKeyOOPUQIYHYPMHCM-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.70
Rot. Bonds1

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

2-(4-fluorophenyl)-4,5-dimethyl-2,3-dihydro-1,3-oxazole (PubChem CID 142244707) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4,5-dimethyl-2,3-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4,5-dimethyl-2,3-dihydro-1,3-oxazole
PubChem CID142244707
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name2-(4-fluorophenyl)-4,5-dimethyl-2,3-dihydro-1,3-oxazole
SMILESCC1=C(C)OC(c2ccc(F)cc2)N1
InChIInChI=1S/C11H12FNO/c1-7-8(2)14-11(13-7)9-3-5-10(12)6-4-9/h3-6,11,13H,1-2H3
InChIKeyOOPUQIYHYPMHCM-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Oxazolidine, 2-phenyl-
CID 347092
Oxazolidine, 2-methyl-2-phenyl-
CID 278954
4,4-Dimethyl-2-phenyl-1,3-oxazolidine
CID 589827
Ethyl 2-phenyl-5-(trifluoromethyl)-2,3-dihydro-1,3-oxazole-4-carboxylate
CID 134859164
Fluorophenyloxazolidine
CID 153639051
2H-1,3-Oxazine, tetrahydro-2-phenyl-
CID 352488
2-Phenyldihydrooxazole
CID 18505521
(2R,4S,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine
CID 10611164
(2S,4R,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine
CID 10634892
(2S,4S,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine
CID 10796683
(2R,4R,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine
CID 10848744
2-(m-Trifluoromethylphenyl)-5-ethyl-1,3-oxazolidine
CID 21242493

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4,5-dimethyl-2,3-dihydro-1,3-oxazole?
The IUPAC name of 2-(4-fluorophenyl)-4,5-dimethyl-2,3-dihydro-1,3-oxazole (CID 142244707) is 2-(4-fluorophenyl)-4,5-dimethyl-2,3-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4,5-dimethyl-2,3-dihydro-1,3-oxazole?
The canonical SMILES for 2-(4-fluorophenyl)-4,5-dimethyl-2,3-dihydro-1,3-oxazole is CC1=C(C)OC(c2ccc(F)cc2)N1.
What is the InChIKey of 2-(4-fluorophenyl)-4,5-dimethyl-2,3-dihydro-1,3-oxazole?
The InChIKey is OOPUQIYHYPMHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-7-8(2)14-11(13-7)9-3-5-10(12)6-4-9/h3-6,11,13H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-4,5-dimethyl-2,3-dihydro-1,3-oxazole?
2-(4-fluorophenyl)-4,5-dimethyl-2,3-dihydro-1,3-oxazole has a molecular weight of 193.22 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4,5-dimethyl-2,3-dihydro-1,3-oxazole is sourced from PubChem (CID 142244707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).