1,3-benzothiazol-2-ylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

C15H14N2O3S — CID 7660638

IUPAC1,3-benzothiazol-2-ylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCc1nc2ccccc2s1
InChIInChI=1S/C15H14N2O3S/c1-3-10-14(9(2)20-17-10)15(18)19-8-13-16-11-6-4-5-7-12(11)21-13/h4-7H,3,8H2,1-2H3
InChIKeyUQWOOONQVRMJDA-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.51
Rot. Bonds4

About 1,3-benzothiazol-2-ylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

1,3-benzothiazol-2-ylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 7660638) has the molecular formula C15H14N2O3S and a molecular weight of 302.35 g/mol. Its IUPAC name is 1,3-benzothiazol-2-ylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name1,3-benzothiazol-2-ylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID7660638
Molecular FormulaC15H14N2O3S
Molecular Weight302.35 g/mol
Exact Mass302.07
IUPAC Name1,3-benzothiazol-2-ylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCc1nc2ccccc2s1
InChIInChI=1S/C15H14N2O3S/c1-3-10-14(9(2)20-17-10)15(18)19-8-13-16-11-6-4-5-7-12(11)21-13/h4-7H,3,8H2,1-2H3
InChIKeyUQWOOONQVRMJDA-UHFFFAOYSA-N
XLogP3.51
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-ylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of 1,3-benzothiazol-2-ylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (CID 7660638) is 1,3-benzothiazol-2-ylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for 1,3-benzothiazol-2-ylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for 1,3-benzothiazol-2-ylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is CCc1noc(C)c1C(=O)OCc1nc2ccccc2s1.
What is the InChIKey of 1,3-benzothiazol-2-ylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is UQWOOONQVRMJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-3-10-14(9(2)20-17-10)15(18)19-8-13-16-11-6-4-5-7-12(11)21-13/h4-7H,3,8H2,1-2H3.
What are the key properties of 1,3-benzothiazol-2-ylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
1,3-benzothiazol-2-ylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 302.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-ylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 7660638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).