4-[(2-fluoro-3-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole

C13H14FNO2 — CID 103988426

IUPAC4-[(2-fluoro-3-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1cccc(OCc2c(C)noc2C)c1F
InChIInChI=1S/C13H14FNO2/c1-8-5-4-6-12(13(8)14)16-7-11-9(2)15-17-10(11)3/h4-6H,7H2,1-3H3
InChIKeyJHERPKSZLPQZII-UHFFFAOYSA-N
MW235.26 g/mol
LogP3.32
Rot. Bonds3

About 4-[(2-fluoro-3-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole

4-[(2-fluoro-3-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 103988426) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 4-[(2-fluoro-3-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(2-fluoro-3-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID103988426
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name4-[(2-fluoro-3-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1cccc(OCc2c(C)noc2C)c1F
InChIInChI=1S/C13H14FNO2/c1-8-5-4-6-12(13(8)14)16-7-11-9(2)15-17-10(11)3/h4-6H,7H2,1-3H3
InChIKeyJHERPKSZLPQZII-UHFFFAOYSA-N
XLogP3.32
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 60881964
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]isoindole-1,3-dione
CID 67724723
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-fluorophenyl]ethanone
CID 71628485
methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 117054172
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylidenehydrazine
CID 168530523
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]ethanamine
CID 112614814
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-fluorobenzonitrile
CID 103792121
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7654825
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 35146752
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958074
4-[(2-methoxy-4-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole
CID 71103207
4-[(2-fluoro-3-methylphenoxy)methyl]pyridine
CID 107661921

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-3-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[(2-fluoro-3-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole (CID 103988426) is 4-[(2-fluoro-3-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[(2-fluoro-3-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[(2-fluoro-3-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole is Cc1cccc(OCc2c(C)noc2C)c1F.
What is the InChIKey of 4-[(2-fluoro-3-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is JHERPKSZLPQZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-8-5-4-6-12(13(8)14)16-7-11-9(2)15-17-10(11)3/h4-6H,7H2,1-3H3.
What are the key properties of 4-[(2-fluoro-3-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole?
4-[(2-fluoro-3-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 235.26 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-3-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 103988426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).