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

C13H16FNO — CID 143728820

IUPAC4-(2-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole
SMILESCCCC1=NC(C)(c2ccccc2F)CO1
InChIInChI=1S/C13H16FNO/c1-3-6-12-15-13(2,9-16-12)10-7-4-5-8-11(10)14/h4-5,7-8H,3,6,9H2,1-2H3
InChIKeyBGFBXQSLFQFWGB-UHFFFAOYSA-N
MW221.27 g/mol
LogP3.27
Rot. Bonds3

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

4-(2-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole (PubChem CID 143728820) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole.

Molecular Properties

Compound Name4-(2-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole
PubChem CID143728820
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name4-(2-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole
SMILESCCCC1=NC(C)(c2ccccc2F)CO1
InChIInChI=1S/C13H16FNO/c1-3-6-12-15-13(2,9-16-12)10-7-4-5-8-11(10)14/h4-5,7-8H,3,6,9H2,1-2H3
InChIKeyBGFBXQSLFQFWGB-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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Related Compounds

4,4-Dimethyl-2-phenylmethyl-2-oxazoline
CID 98710
4-methyl-4-(2,3,6-trifluorophenyl)-5H-1,3-oxazol-2-amine
CID 59323675
4-methyl-4-(3,4,5-trifluorophenyl)-5H-1,3-oxazol-2-amine
CID 59323688
(4S)-4-(2,5-difluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
CID 59323712
(4R)-4-(2-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
CID 59323732
(4S)-4-methyl-4-(3,4,5-trifluorophenyl)-5H-1,3-oxazol-2-amine
CID 59323769
(4S)-4-(2,4-difluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
CID 59323870
4,4-Dimethyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 293675
2-(2,6-difluorophenyl)-4-methyl-4-phenyl-5H-1,3-oxazole
CID 76308796
2-(o-Fluorophenyl)-2-methoxymethylindole
CID 129797841
(4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole
CID 134858563
4-Phenyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
CID 154720158

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole?
The IUPAC name of 4-(2-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole (CID 143728820) is 4-(2-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole.
What is the SMILES notation for 4-(2-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole?
The canonical SMILES for 4-(2-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole is CCCC1=NC(C)(c2ccccc2F)CO1.
What is the InChIKey of 4-(2-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole?
The InChIKey is BGFBXQSLFQFWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-3-6-12-15-13(2,9-16-12)10-7-4-5-8-11(10)14/h4-5,7-8H,3,6,9H2,1-2H3.
What are the key properties of 4-(2-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole?
4-(2-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-(2-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole is sourced from PubChem (CID 143728820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).