1,3-benzoxazol-2-ylmethyl 2-(difluoromethoxy)benzoate

C16H11F2NO4 — CID 18192162

IUPAC1,3-benzoxazol-2-ylmethyl 2-(difluoromethoxy)benzoate
SMILESO=C(OCc1nc2ccccc2o1)c1ccccc1OC(F)F
InChIInChI=1S/C16H11F2NO4/c17-16(18)23-12-7-3-1-5-10(12)15(20)21-9-14-19-11-6-2-4-8-13(11)22-14/h1-8,16H,9H2
InChIKeyZLHOSKTZFKQPRU-UHFFFAOYSA-N
MW319.26 g/mol
LogP3.79
Rot. Bonds5

About 1,3-benzoxazol-2-ylmethyl 2-(difluoromethoxy)benzoate

1,3-benzoxazol-2-ylmethyl 2-(difluoromethoxy)benzoate (PubChem CID 18192162) has the molecular formula C16H11F2NO4 and a molecular weight of 319.26 g/mol. Its IUPAC name is 1,3-benzoxazol-2-ylmethyl 2-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name1,3-benzoxazol-2-ylmethyl 2-(difluoromethoxy)benzoate
PubChem CID18192162
Molecular FormulaC16H11F2NO4
Molecular Weight319.26 g/mol
Exact Mass319.07
IUPAC Name1,3-benzoxazol-2-ylmethyl 2-(difluoromethoxy)benzoate
SMILESO=C(OCc1nc2ccccc2o1)c1ccccc1OC(F)F
InChIInChI=1S/C16H11F2NO4/c17-16(18)23-12-7-3-1-5-10(12)15(20)21-9-14-19-11-6-2-4-8-13(11)22-14/h1-8,16H,9H2
InChIKeyZLHOSKTZFKQPRU-UHFFFAOYSA-N
XLogP3.79
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.26
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-benzoxazol-2-ylmethyl 2-(2-phenoxyethoxy)benzoate
CID 9405475
1,3-benzoxazol-2-ylmethyl 3-hydroxynaphthalene-2-carboxylate
CID 40734632
benzyl 2-(difluoromethoxy)benzoate
CID 55327292
2-(1,3-benzoxazol-2-ylmethoxy)benzoic acid
CID 43214774
1,3-benzoxazol-2-ylmethyl 3,5-dimethylbenzoate
CID 9449734
1,3-benzoxazol-2-ylmethyl 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 8913125
1,3-benzoxazol-2-ylmethyl 4-(dimethylamino)benzoate
CID 9325069
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate
CID 55327358
2-(1,3-benzoxazol-2-ylmethoxy)-N-phenylbenzamide
CID 38902837
(2-propyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate
CID 55571035
1,3-benzoxazol-2-ylmethyl 4-[(2-amino-2-oxoethyl)amino]benzoate
CID 71938022
1,3-benzoxazol-2-ylmethyl 5-ethyl-4-methylthiophene-2-carboxylate
CID 18192196

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazol-2-ylmethyl 2-(difluoromethoxy)benzoate?
The IUPAC name of 1,3-benzoxazol-2-ylmethyl 2-(difluoromethoxy)benzoate (CID 18192162) is 1,3-benzoxazol-2-ylmethyl 2-(difluoromethoxy)benzoate.
What is the SMILES notation for 1,3-benzoxazol-2-ylmethyl 2-(difluoromethoxy)benzoate?
The canonical SMILES for 1,3-benzoxazol-2-ylmethyl 2-(difluoromethoxy)benzoate is O=C(OCc1nc2ccccc2o1)c1ccccc1OC(F)F.
What is the InChIKey of 1,3-benzoxazol-2-ylmethyl 2-(difluoromethoxy)benzoate?
The InChIKey is ZLHOSKTZFKQPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO4/c17-16(18)23-12-7-3-1-5-10(12)15(20)21-9-14-19-11-6-2-4-8-13(11)22-14/h1-8,16H,9H2.
What are the key properties of 1,3-benzoxazol-2-ylmethyl 2-(difluoromethoxy)benzoate?
1,3-benzoxazol-2-ylmethyl 2-(difluoromethoxy)benzoate has a molecular weight of 319.26 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazol-2-ylmethyl 2-(difluoromethoxy)benzoate is sourced from PubChem (CID 18192162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).