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

C10H10FNO — CID 135228270

IUPAC4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1=NC(c2ccc(F)cc2)CO1
InChIInChI=1S/C10H10FNO/c1-7-12-10(6-13-7)8-2-4-9(11)5-3-8/h2-5,10H,6H2,1H3
InChIKeyGZUXCZKPZCDLBF-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.32
Rot. Bonds1

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

4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 135228270) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole
PubChem CID135228270
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1=NC(c2ccc(F)cc2)CO1
InChIInChI=1S/C10H10FNO/c1-7-12-10(6-13-7)8-2-4-9(11)5-3-8/h2-5,10H,6H2,1H3
InChIKeyGZUXCZKPZCDLBF-UHFFFAOYSA-N
XLogP2.32
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

RO-5263397
CID 56835991
(S)-4-(3-Fluorophenyl)-4,5-dihydrooxazol-2-amine
CID 59323617
(S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 676388
Ph-box, (R,R)-
CID 676390
(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684
AG-H-02521
CID 5325154
(4R)-4-(2,4-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966110
(4S)-4-(2,3-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966111
(4S)-4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966114
(4S)-4-(2,4,5-trifluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966116
(4S)-4-(2,3,5-trifluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966460
(4S)-4-(3,4-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966462

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole (CID 135228270) is 4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole is CC1=NC(c2ccc(F)cc2)CO1.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is GZUXCZKPZCDLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-7-12-10(6-13-7)8-2-4-9(11)5-3-8/h2-5,10H,6H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole?
4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 179.19 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 135228270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).