ethyl 5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxylate

C15H14N2O4S — CID 44541762

IUPACethyl 5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(COc2ccc3sc(C)nc3c2)on1
InChIInChI=1S/C15H14N2O4S/c1-3-19-15(18)13-7-11(21-17-13)8-20-10-4-5-14-12(6-10)16-9(2)22-14/h4-7H,3,8H2,1-2H3
InChIKeyUUDCQHVRPXXNKG-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.35
Rot. Bonds5

About ethyl 5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxylate

ethyl 5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxylate (PubChem CID 44541762) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is ethyl 5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxylate
PubChem CID44541762
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Nameethyl 5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(COc2ccc3sc(C)nc3c2)on1
InChIInChI=1S/C15H14N2O4S/c1-3-19-15(18)13-7-11(21-17-13)8-20-10-4-5-14-12(6-10)16-9(2)22-14/h4-7H,3,8H2,1-2H3
InChIKeyUUDCQHVRPXXNKG-UHFFFAOYSA-N
XLogP3.35
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Benzo[d]thiazol-2-ylmethyl 5-nitrofuran-2-carboxylate
CID 847553
2-{[5-(2-Methylbenzothiazol-5-yloxymethyl)isoxazole-3-carbonyl]-(S)-amino}-4-methylsulfanylbutyric Acid Methyl Ester
CID 26410681
[5-[(2-Methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazol-3-yl]-(oxazinan-2-yl)methanone
CID 42216744
N-benzyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]isoxazole-3-carboxamide
CID 44541622
methyl (2S)-4-methyl-2-[[5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]isoxazole-3-carbonyl]amino]pentanoate
CID 44541764
{[5-(2-Methylbenzothiazol-5-yloxymethyl)isoxazole-3-carbonyl]-(S)-amino}phenylacetic Acid Methyl Ester
CID 44542053
5-[(2-Methyl-1,3-benzothiazol-5-yl)oxymethyl]isoxazole-3-carbohydroxamic acid
CID 44542054
{[5-(2-Methylbenzothiazol-5-yloxymethyl)isoxazole-3-carbonyl]-(R)-amino}phenylacetic Acid Methyl Ester
CID 44542058
[5-(2-Methylbenzothiazol-5-yloxymethyl)isoxazol-3-yl]-morpholin-4-ylmethanone
CID 42513170
methyl (2S)-2-[[5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]isoxazole-3-carbonyl]amino]-3-phenyl-propanoate
CID 44541498
5-[(2-Methyl-1,3-benzothiazol-5-yl)oxymethyl]isoxazole-3-carboxylic acid
CID 44541763
N,N-dimethyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]isoxazole-3-carboxamide
CID 44541765

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxylate (CID 44541762) is ethyl 5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(COc2ccc3sc(C)nc3c2)on1.
What is the InChIKey of ethyl 5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxylate?
The InChIKey is UUDCQHVRPXXNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-3-19-15(18)13-7-11(21-17-13)8-20-10-4-5-14-12(6-10)16-9(2)22-14/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxylate?
ethyl 5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxylate has a molecular weight of 318.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 44541762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).