3-(2,2-dimethyl-3-propan-2-ylcyclopropyl)-5-(3-fluorophenyl)-1,2-oxazole

C17H20FNO — CID 130466734

IUPAC3-(2,2-dimethyl-3-propan-2-ylcyclopropyl)-5-(3-fluorophenyl)-1,2-oxazole
SMILESCC(C)C1C(c2cc(-c3cccc(F)c3)on2)C1(C)C
InChIInChI=1S/C17H20FNO/c1-10(2)15-16(17(15,3)4)13-9-14(20-19-13)11-6-5-7-12(18)8-11/h5-10,15-16H,1-4H3
InChIKeyQQMRTHGCWYHFOF-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.88
Rot. Bonds3

About 3-(2,2-dimethyl-3-propan-2-ylcyclopropyl)-5-(3-fluorophenyl)-1,2-oxazole

3-(2,2-dimethyl-3-propan-2-ylcyclopropyl)-5-(3-fluorophenyl)-1,2-oxazole (PubChem CID 130466734) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 3-(2,2-dimethyl-3-propan-2-ylcyclopropyl)-5-(3-fluorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2,2-dimethyl-3-propan-2-ylcyclopropyl)-5-(3-fluorophenyl)-1,2-oxazole
PubChem CID130466734
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name3-(2,2-dimethyl-3-propan-2-ylcyclopropyl)-5-(3-fluorophenyl)-1,2-oxazole
SMILESCC(C)C1C(c2cc(-c3cccc(F)c3)on2)C1(C)C
InChIInChI=1S/C17H20FNO/c1-10(2)15-16(17(15,3)4)13-9-14(20-19-13)11-6-5-7-12(18)8-11/h5-10,15-16H,1-4H3
InChIKeyQQMRTHGCWYHFOF-UHFFFAOYSA-N
XLogP4.88
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 130448364
5-(3-fluorophenyl)-1,2-oxazole-3-carbonitrile
CID 116858951
2-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one
CID 11652938
5-(3-fluorophenyl)-3-(2,4,6-trimethoxyphenyl)-1,2-oxazole
CID 162659969
5-(3-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazole
CID 142469500
N-cyclobutyl-5-(3-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 144981703
1-[5-(3-fluorophenyl)furan-2-yl]ethanamine
CID 62498738
3-(3-fluorophenyl)-6,6-dimethyl-7H-1,2-benzoxazole-4,5-dione
CID 171919165
4-(3-fluorophenyl)-5-(3-propan-2-yl-2H-1,3-thiazol-2-yl)-1,3-oxazole
CID 67537451
1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 63346038
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 115079254
N-[[5-(3-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 114873246

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyl-3-propan-2-ylcyclopropyl)-5-(3-fluorophenyl)-1,2-oxazole?
The IUPAC name of 3-(2,2-dimethyl-3-propan-2-ylcyclopropyl)-5-(3-fluorophenyl)-1,2-oxazole (CID 130466734) is 3-(2,2-dimethyl-3-propan-2-ylcyclopropyl)-5-(3-fluorophenyl)-1,2-oxazole.
What is the SMILES notation for 3-(2,2-dimethyl-3-propan-2-ylcyclopropyl)-5-(3-fluorophenyl)-1,2-oxazole?
The canonical SMILES for 3-(2,2-dimethyl-3-propan-2-ylcyclopropyl)-5-(3-fluorophenyl)-1,2-oxazole is CC(C)C1C(c2cc(-c3cccc(F)c3)on2)C1(C)C.
What is the InChIKey of 3-(2,2-dimethyl-3-propan-2-ylcyclopropyl)-5-(3-fluorophenyl)-1,2-oxazole?
The InChIKey is QQMRTHGCWYHFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-10(2)15-16(17(15,3)4)13-9-14(20-19-13)11-6-5-7-12(18)8-11/h5-10,15-16H,1-4H3.
What are the key properties of 3-(2,2-dimethyl-3-propan-2-ylcyclopropyl)-5-(3-fluorophenyl)-1,2-oxazole?
3-(2,2-dimethyl-3-propan-2-ylcyclopropyl)-5-(3-fluorophenyl)-1,2-oxazole has a molecular weight of 273.35 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-3-propan-2-ylcyclopropyl)-5-(3-fluorophenyl)-1,2-oxazole is sourced from PubChem (CID 130466734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).