5-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-3-methyl-1,2-oxazole

C15H14N2O3S — CID 122146031

IUPAC5-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-3-methyl-1,2-oxazole
SMILESCOc1cccc(-c2nc(-c3cc(C)no3)cs2)c1OC
InChIInChI=1S/C15H14N2O3S/c1-9-7-13(20-17-9)11-8-21-15(16-11)10-5-4-6-12(18-2)14(10)19-3/h4-8H,1-3H3
InChIKeyBSECTDOHVVRDTR-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.79
Rot. Bonds4

About 5-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-3-methyl-1,2-oxazole

5-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-3-methyl-1,2-oxazole (PubChem CID 122146031) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 5-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-3-methyl-1,2-oxazole
PubChem CID122146031
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name5-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-3-methyl-1,2-oxazole
SMILESCOc1cccc(-c2nc(-c3cc(C)no3)cs2)c1OC
InChIInChI=1S/C15H14N2O3S/c1-9-7-13(20-17-9)11-8-21-15(16-11)10-5-4-6-12(18-2)14(10)19-3/h4-8H,1-3H3
InChIKeyBSECTDOHVVRDTR-UHFFFAOYSA-N
XLogP3.79
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-3-methyl-1,2-oxazole (CID 122146031) is 5-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-3-methyl-1,2-oxazole is COc1cccc(-c2nc(-c3cc(C)no3)cs2)c1OC.
What is the InChIKey of 5-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-3-methyl-1,2-oxazole?
The InChIKey is BSECTDOHVVRDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-9-7-13(20-17-9)11-8-21-15(16-11)10-5-4-6-12(18-2)14(10)19-3/h4-8H,1-3H3.
What are the key properties of 5-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-3-methyl-1,2-oxazole?
5-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-3-methyl-1,2-oxazole has a molecular weight of 302.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 122146031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).