(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1,3-benzothiazole-6-carboxylate

C14H12N2O3S — CID 7276513

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1,3-benzothiazole-6-carboxylate
SMILESCc1noc(C)c1COC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C14H12N2O3S/c1-8-11(9(2)19-16-8)6-18-14(17)10-3-4-12-13(5-10)20-7-15-12/h3-5,7H,6H2,1-2H3
InChIKeyGAPTXAOTMQXFEE-UHFFFAOYSA-N
MW288.33 g/mol
LogP3.26
Rot. Bonds3

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1,3-benzothiazole-6-carboxylate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1,3-benzothiazole-6-carboxylate (PubChem CID 7276513) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1,3-benzothiazole-6-carboxylate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1,3-benzothiazole-6-carboxylate
PubChem CID7276513
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1,3-benzothiazole-6-carboxylate
SMILESCc1noc(C)c1COC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C14H12N2O3S/c1-8-11(9(2)19-16-8)6-18-14(17)10-3-4-12-13(5-10)20-7-15-12/h3-5,7H,6H2,1-2H3
InChIKeyGAPTXAOTMQXFEE-UHFFFAOYSA-N
XLogP3.26
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1,3-benzothiazole-6-carboxylate
CID 18147223
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 55392584
(4-fluorophenyl)methyl 1,3-benzothiazole-6-carboxylate
CID 7276691
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 3881319
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 18192237
cyanomethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2637058
(3-fluorophenyl)methyl 1,3-benzothiazole-6-carboxylate
CID 18080757
(2,5-dimethylphenyl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7186406
(3,4-dichlorophenyl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7186411
(2-acetamido-2-oxoethyl) 1,3-benzothiazole-6-carboxylate
CID 2561880
[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 1,3-benzothiazole-6-carboxylate
CID 7631106
[2-(2,5-dimethylphenyl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 2596681

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1,3-benzothiazole-6-carboxylate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1,3-benzothiazole-6-carboxylate (CID 7276513) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1,3-benzothiazole-6-carboxylate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1,3-benzothiazole-6-carboxylate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1,3-benzothiazole-6-carboxylate is Cc1noc(C)c1COC(=O)c1ccc2ncsc2c1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1,3-benzothiazole-6-carboxylate?
The InChIKey is GAPTXAOTMQXFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-8-11(9(2)19-16-8)6-18-14(17)10-3-4-12-13(5-10)20-7-15-12/h3-5,7H,6H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1,3-benzothiazole-6-carboxylate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1,3-benzothiazole-6-carboxylate has a molecular weight of 288.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1,3-benzothiazole-6-carboxylate is sourced from PubChem (CID 7276513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).