(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylsulfanylbenzoate

C18H15NO3S — CID 18085090

IUPAC(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylsulfanylbenzoate
SMILESCSc1ccccc1C(=O)OCc1coc(-c2ccccc2)n1
InChIInChI=1S/C18H15NO3S/c1-23-16-10-6-5-9-15(16)18(20)22-12-14-11-21-17(19-14)13-7-3-2-4-8-13/h2-11H,12H2,1H3
InChIKeyHCBQJOXZQQJNDK-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.42
Rot. Bonds5

About (2-phenyl-1,3-oxazol-4-yl)methyl 2-methylsulfanylbenzoate

(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylsulfanylbenzoate (PubChem CID 18085090) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is (2-phenyl-1,3-oxazol-4-yl)methyl 2-methylsulfanylbenzoate.

Molecular Properties

Compound Name(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylsulfanylbenzoate
PubChem CID18085090
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Name(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylsulfanylbenzoate
SMILESCSc1ccccc1C(=O)OCc1coc(-c2ccccc2)n1
InChIInChI=1S/C18H15NO3S/c1-23-16-10-6-5-9-15(16)18(20)22-12-14-11-21-17(19-14)13-7-3-2-4-8-13/h2-11H,12H2,1H3
InChIKeyHCBQJOXZQQJNDK-UHFFFAOYSA-N
XLogP4.42
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate
CID 18197445
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylquinoline-4-carboxylate
CID 16508797
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate
CID 55547095
(2-phenyl-1,3-oxazol-4-yl)methyl 2-bromo-5-methoxybenzoate
CID 18085087
(2-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-5-methylsulfonylbenzoate
CID 18085109
(2-phenyl-1,3-oxazol-4-yl)methyl 7-fluoro-2-methylquinoline-3-carboxylate
CID 36757589
(2-phenyl-1,3-oxazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 16605256
(2-phenyl-1,3-oxazol-4-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate
CID 18199699
(2-phenyl-1,3-oxazol-4-yl)methyl 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 32925580
(2-phenyl-1,3-oxazol-4-yl)methyl 1-methyl-3-pyridin-4-ylpyrazole-4-carboxylate
CID 166222394
(2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate
CID 16605196
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-(2-amino-2-oxoethoxy)benzoate
CID 55543032

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 2-methylsulfanylbenzoate?
The IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 2-methylsulfanylbenzoate (CID 18085090) is (2-phenyl-1,3-oxazol-4-yl)methyl 2-methylsulfanylbenzoate.
What is the SMILES notation for (2-phenyl-1,3-oxazol-4-yl)methyl 2-methylsulfanylbenzoate?
The canonical SMILES for (2-phenyl-1,3-oxazol-4-yl)methyl 2-methylsulfanylbenzoate is CSc1ccccc1C(=O)OCc1coc(-c2ccccc2)n1.
What is the InChIKey of (2-phenyl-1,3-oxazol-4-yl)methyl 2-methylsulfanylbenzoate?
The InChIKey is HCBQJOXZQQJNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c1-23-16-10-6-5-9-15(16)18(20)22-12-14-11-21-17(19-14)13-7-3-2-4-8-13/h2-11H,12H2,1H3.
What are the key properties of (2-phenyl-1,3-oxazol-4-yl)methyl 2-methylsulfanylbenzoate?
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylsulfanylbenzoate has a molecular weight of 325.39 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-oxazol-4-yl)methyl 2-methylsulfanylbenzoate is sourced from PubChem (CID 18085090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).