(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate

C16H16N2O3S — CID 2124528

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate
SMILESCc1noc(C)c1COC(=O)CCc1nc2ccccc2s1
InChIInChI=1S/C16H16N2O3S/c1-10-12(11(2)21-18-10)9-20-16(19)8-7-15-17-13-5-3-4-6-14(13)22-15/h3-6H,7-9H2,1-2H3
InChIKeyFSJOPIGMDBUYEB-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.58
Rot. Bonds5

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate (PubChem CID 2124528) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate
PubChem CID2124528
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate
SMILESCc1noc(C)c1COC(=O)CCc1nc2ccccc2s1
InChIInChI=1S/C16H16N2O3S/c1-10-12(11(2)21-18-10)9-20-16(19)8-7-15-17-13-5-3-4-6-14(13)22-15/h3-6H,7-9H2,1-2H3
InChIKeyFSJOPIGMDBUYEB-UHFFFAOYSA-N
XLogP3.58
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate (CID 2124528) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate is Cc1noc(C)c1COC(=O)CCc1nc2ccccc2s1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate?
The InChIKey is FSJOPIGMDBUYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-10-12(11(2)21-18-10)9-20-16(19)8-7-15-17-13-5-3-4-6-14(13)22-15/h3-6H,7-9H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate has a molecular weight of 316.38 g/mol, XLogP of 3.58, 5 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 3-(1,3-benzothiazol-2-yl)propanoate is sourced from PubChem (CID 2124528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).