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

C13H16FNO — CID 143728827

IUPAC4-(4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole
SMILESCCCC1=NC(C)(c2ccc(F)cc2)CO1
InChIInChI=1S/C13H16FNO/c1-3-4-12-15-13(2,9-16-12)10-5-7-11(14)8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKeyOTRFXYRIKVZUOV-UHFFFAOYSA-N
MW221.27 g/mol
LogP3.27
Rot. Bonds3

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

4-(4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole (PubChem CID 143728827) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole
PubChem CID143728827
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name4-(4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole
SMILESCCCC1=NC(C)(c2ccc(F)cc2)CO1
InChIInChI=1S/C13H16FNO/c1-3-4-12-15-13(2,9-16-12)10-5-7-11(14)8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKeyOTRFXYRIKVZUOV-UHFFFAOYSA-N
XLogP3.27
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole?
The IUPAC name of 4-(4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole (CID 143728827) is 4-(4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole.
What is the SMILES notation for 4-(4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole?
The canonical SMILES for 4-(4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole is CCCC1=NC(C)(c2ccc(F)cc2)CO1.
What is the InChIKey of 4-(4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole?
The InChIKey is OTRFXYRIKVZUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-3-4-12-15-13(2,9-16-12)10-5-7-11(14)8-6-10/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole?
4-(4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole has a molecular weight of 221.27 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole is sourced from PubChem (CID 143728827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).