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

C10H10FNO — CID 91587883

IUPAC3-(4-fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazole
SMILESCC1C=C(c2ccc(F)cc2)NO1
InChIInChI=1S/C10H10FNO/c1-7-6-10(12-13-7)8-2-4-9(11)5-3-8/h2-7,12H,1H3
InChIKeySPIIDQGECXUGFI-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.09
Rot. Bonds1

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

3-(4-fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazole (PubChem CID 91587883) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazole
PubChem CID91587883
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name3-(4-fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazole
SMILESCC1C=C(c2ccc(F)cc2)NO1
InChIInChI=1S/C10H10FNO/c1-7-6-10(12-13-7)8-2-4-9(11)5-3-8/h2-7,12H,1H3
InChIKeySPIIDQGECXUGFI-UHFFFAOYSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethoxy[(4-fluorophenyl)methyl]amine
CID 12146891
Phenyloxazine
CID 53643691
1-phenyl-N-propan-2-yloxymethanamine
CID 53771755
3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 4079470
3-phenyl-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 5056306
N-[1-(2-fluoro-5-methylphenyl)ethenyl]hydroxylamine
CID 23394254
N-ethenoxy-1-(4-fluorophenyl)methanamine
CID 23559810
1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 56974312
N-methoxy-1-[3-(trifluoromethyl)phenyl]ethenamine
CID 56978932
2-(4-fluorophenyl)-N-methoxy-1-phenylethenamine
CID 56985679
[3-(4-Fluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 56986394
3,3,3-trifluoro-1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine
CID 57025597

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazole (CID 91587883) is 3-(4-fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazole is CC1C=C(c2ccc(F)cc2)NO1.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazole?
The InChIKey is SPIIDQGECXUGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-7-6-10(12-13-7)8-2-4-9(11)5-3-8/h2-7,12H,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazole?
3-(4-fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazole has a molecular weight of 179.19 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91587883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).