(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-propan-2-yloxybenzoate

C18H17NO4S — CID 8751669

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-propan-2-yloxybenzoate
SMILESCC(C)Oc1ccc(C(=O)OCc2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C18H17NO4S/c1-12(2)22-15-7-5-13(6-8-15)18(20)21-11-14-10-16(23-19-14)17-4-3-9-24-17/h3-10,12H,11H2,1-2H3
InChIKeyRHVFDOPINIAWKN-UHFFFAOYSA-N
MW343.40 g/mol
LogP4.55
Rot. Bonds6

About (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-propan-2-yloxybenzoate

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-propan-2-yloxybenzoate (PubChem CID 8751669) has the molecular formula C18H17NO4S and a molecular weight of 343.40 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-propan-2-yloxybenzoate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-propan-2-yloxybenzoate
PubChem CID8751669
Molecular FormulaC18H17NO4S
Molecular Weight343.40 g/mol
Exact Mass343.09
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-propan-2-yloxybenzoate
SMILESCC(C)Oc1ccc(C(=O)OCc2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C18H17NO4S/c1-12(2)22-15-7-5-13(6-8-15)18(20)21-11-14-10-16(23-19-14)17-4-3-9-24-17/h3-10,12H,11H2,1-2H3
InChIKeyRHVFDOPINIAWKN-UHFFFAOYSA-N
XLogP4.55
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl benzoate
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N-[(4-propan-2-yloxyphenyl)methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 17254235
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,4-dimethylbenzoate
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CID 8741850
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate
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CID 8975196
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CID 8845331
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)benzoate
CID 16577503
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(ethylsulfamoyl)benzoate
CID 30767092
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-methoxy-1-methylpyrazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-propan-2-yloxybenzoate?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-propan-2-yloxybenzoate (CID 8751669) is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-propan-2-yloxybenzoate.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-propan-2-yloxybenzoate?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-propan-2-yloxybenzoate is CC(C)Oc1ccc(C(=O)OCc2cc(-c3cccs3)on2)cc1.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-propan-2-yloxybenzoate?
The InChIKey is RHVFDOPINIAWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S/c1-12(2)22-15-7-5-13(6-8-15)18(20)21-11-14-10-16(23-19-14)17-4-3-9-24-17/h3-10,12H,11H2,1-2H3.
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-propan-2-yloxybenzoate?
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-propan-2-yloxybenzoate has a molecular weight of 343.40 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-propan-2-yloxybenzoate is sourced from PubChem (CID 8751669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).