(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate

C17H13F2NO5S — CID 8752007

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate
SMILESCOc1cc(C(=O)OCc2cc(-c3cccs3)on2)ccc1OC(F)F
InChIInChI=1S/C17H13F2NO5S/c1-22-13-7-10(4-5-12(13)24-17(18)19)16(21)23-9-11-8-14(25-20-11)15-3-2-6-26-15/h2-8,17H,9H2,1H3
InChIKeyJQQNLNPUDPNCGU-UHFFFAOYSA-N
MW381.36 g/mol
LogP4.37
Rot. Bonds7

About (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate (PubChem CID 8752007) has the molecular formula C17H13F2NO5S and a molecular weight of 381.36 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate
PubChem CID8752007
Molecular FormulaC17H13F2NO5S
Molecular Weight381.36 g/mol
Exact Mass381.05
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate
SMILESCOc1cc(C(=O)OCc2cc(-c3cccs3)on2)ccc1OC(F)F
InChIInChI=1S/C17H13F2NO5S/c1-22-13-7-10(4-5-12(13)24-17(18)19)16(21)23-9-11-8-14(25-20-11)15-3-2-6-26-15/h2-8,17H,9H2,1H3
InChIKeyJQQNLNPUDPNCGU-UHFFFAOYSA-N
XLogP4.37
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate (CID 8752007) is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate is COc1cc(C(=O)OCc2cc(-c3cccs3)on2)ccc1OC(F)F.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate?
The InChIKey is JQQNLNPUDPNCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO5S/c1-22-13-7-10(4-5-12(13)24-17(18)19)16(21)23-9-11-8-14(25-20-11)15-3-2-6-26-15/h2-8,17H,9H2,1H3.
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate?
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate has a molecular weight of 381.36 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate is sourced from PubChem (CID 8752007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).