(2-phenyl-1,3-oxazol-4-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate

C19H14N2O3S2 — CID 55320792

IUPAC(2-phenyl-1,3-oxazol-4-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
SMILESO=C(CSc1nc2ccccc2s1)OCc1coc(-c2ccccc2)n1
InChIInChI=1S/C19H14N2O3S2/c22-17(12-25-19-21-15-8-4-5-9-16(15)26-19)23-10-14-11-24-18(20-14)13-6-2-1-3-7-13/h1-9,11H,10,12H2
InChIKeyHFDKZFONYTUTRB-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.79
Rot. Bonds6

About (2-phenyl-1,3-oxazol-4-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate

(2-phenyl-1,3-oxazol-4-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate (PubChem CID 55320792) has the molecular formula C19H14N2O3S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is (2-phenyl-1,3-oxazol-4-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate.

Molecular Properties

Compound Name(2-phenyl-1,3-oxazol-4-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
PubChem CID55320792
Molecular FormulaC19H14N2O3S2
Molecular Weight382.47 g/mol
Exact Mass382.04
IUPAC Name(2-phenyl-1,3-oxazol-4-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
SMILESO=C(CSc1nc2ccccc2s1)OCc1coc(-c2ccccc2)n1
InChIInChI=1S/C19H14N2O3S2/c22-17(12-25-19-21-15-8-4-5-9-16(15)26-19)23-10-14-11-24-18(20-14)13-6-2-1-3-7-13/h1-9,11H,10,12H2
InChIKeyHFDKZFONYTUTRB-UHFFFAOYSA-N
XLogP4.79
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
CID 7898916
[2-(4-chloroanilino)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
CID 7899031
calcium 2-(1,3-benzothiazol-2-ylsulfanyl)acetic acid
CID 54604872
dodecyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
CID 4149721
(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
CID 46805904
[2-(4-bromophenyl)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
CID 1159318
(5-phenyl-1,2-oxazol-3-yl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55449171
1,3-benzothiazol-2-ylmethyl 2-phenylsulfanylacetate
CID 78765396
2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylmethoxyacetamide
CID 32577583
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
CID 7899046
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate
CID 7895886
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2,2-diphenylacetate
CID 32688963

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate?
The IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate (CID 55320792) is (2-phenyl-1,3-oxazol-4-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate.
What is the SMILES notation for (2-phenyl-1,3-oxazol-4-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate?
The canonical SMILES for (2-phenyl-1,3-oxazol-4-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate is O=C(CSc1nc2ccccc2s1)OCc1coc(-c2ccccc2)n1.
What is the InChIKey of (2-phenyl-1,3-oxazol-4-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate?
The InChIKey is HFDKZFONYTUTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3S2/c22-17(12-25-19-21-15-8-4-5-9-16(15)26-19)23-10-14-11-24-18(20-14)13-6-2-1-3-7-13/h1-9,11H,10,12H2.
What are the key properties of (2-phenyl-1,3-oxazol-4-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate?
(2-phenyl-1,3-oxazol-4-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate has a molecular weight of 382.47 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-oxazol-4-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate is sourced from PubChem (CID 55320792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).