[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl acetate

C16H17F2NO5 — CID 122387469

IUPAC[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl acetate
SMILESCC(=O)OCc1coc(-c2ccc(OC(F)F)c(OC(C)C)c2)n1
InChIInChI=1S/C16H17F2NO5/c1-9(2)23-14-6-11(4-5-13(14)24-16(17)18)15-19-12(8-22-15)7-21-10(3)20/h4-6,8-9,16H,7H2,1-3H3
InChIKeyLPRRUOGWIWGCKV-UHFFFAOYSA-N
MW341.31 g/mol
LogP3.79
Rot. Bonds7

About [2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl acetate

[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl acetate (PubChem CID 122387469) has the molecular formula C16H17F2NO5 and a molecular weight of 341.31 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl acetate.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl acetate
PubChem CID122387469
Molecular FormulaC16H17F2NO5
Molecular Weight341.31 g/mol
Exact Mass341.11
IUPAC Name[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl acetate
SMILESCC(=O)OCc1coc(-c2ccc(OC(F)F)c(OC(C)C)c2)n1
InChIInChI=1S/C16H17F2NO5/c1-9(2)23-14-6-11(4-5-13(14)24-16(17)18)15-19-12(8-22-15)7-21-10(3)20/h4-6,8-9,16H,7H2,1-3H3
InChIKeyLPRRUOGWIWGCKV-UHFFFAOYSA-N
XLogP3.79
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(difluoromethoxy)phenyl]ethanone;ethane;4-ethyl-2-(4-methoxy-3-propan-2-yloxyphenyl)-1,3-oxazole
CID 143566351
methyl 6-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate
CID 175553169
N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-5-hydroxybenzamide
CID 130176543
2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-1H-pyridine-2,5-dicarboxamide
CID 175553183
N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-6-hydroxybenzamide
CID 130176541
[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl 5-carbamoylpyridine-2-carboxylate
CID 175553188
5-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol
CID 175553150
(2-phenyl-1,3-oxazol-4-yl)methyl 3-propan-2-yloxypyridine-2-carboxylate
CID 71859633
4-(chloromethyl)-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazole
CID 68981989
[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methanamine;hydrochloride
CID 175913687
ethyl 2-(4-butoxy-3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate
CID 118336683
1-[2-[4-(difluoromethoxy)-3-prop-2-enoxyphenyl]-1,3-oxazol-4-yl]-3-(2-ethoxyphenyl)propan-2-one
CID 69124952

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl acetate?
The IUPAC name of [2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl acetate (CID 122387469) is [2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl acetate.
What is the SMILES notation for [2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl acetate?
The canonical SMILES for [2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl acetate is CC(=O)OCc1coc(-c2ccc(OC(F)F)c(OC(C)C)c2)n1.
What is the InChIKey of [2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl acetate?
The InChIKey is LPRRUOGWIWGCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO5/c1-9(2)23-14-6-11(4-5-13(14)24-16(17)18)15-19-12(8-22-15)7-21-10(3)20/h4-6,8-9,16H,7H2,1-3H3.
What are the key properties of [2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl acetate?
[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl acetate has a molecular weight of 341.31 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl acetate is sourced from PubChem (CID 122387469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).