4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(4-methylphenyl)-1,3-thiazol-2-amine

C20H17N3O2S — CID 134816928

IUPAC4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2cc(-c3csc(Nc4ccc(C)cc4)n3)on2)cc1
InChIInChI=1S/C20H17N3O2S/c1-13-3-7-15(8-4-13)21-20-22-18(12-26-20)19-11-17(23-25-19)14-5-9-16(24-2)10-6-14/h3-12H,1-2H3,(H,21,22)
InChIKeyVAIIOBKRLSSFRX-UHFFFAOYSA-N
MW363.44 g/mol
LogP5.53
Rot. Bonds5

About 4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(4-methylphenyl)-1,3-thiazol-2-amine

4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 134816928) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID134816928
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2cc(-c3csc(Nc4ccc(C)cc4)n3)on2)cc1
InChIInChI=1S/C20H17N3O2S/c1-13-3-7-15(8-4-13)21-20-22-18(12-26-20)19-11-17(23-25-19)14-5-9-16(24-2)10-6-14/h3-12H,1-2H3,(H,21,22)
InChIKeyVAIIOBKRLSSFRX-UHFFFAOYSA-N
XLogP5.53
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.44
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(4-methylphenyl)-1,3-thiazol-2-amine (CID 134816928) is 4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(4-methylphenyl)-1,3-thiazol-2-amine is COc1ccc(-c2cc(-c3csc(Nc4ccc(C)cc4)n3)on2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is VAIIOBKRLSSFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-13-3-7-15(8-4-13)21-20-22-18(12-26-20)19-11-17(23-25-19)14-5-9-16(24-2)10-6-14/h3-12H,1-2H3,(H,21,22).
What are the key properties of 4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(4-methylphenyl)-1,3-thiazol-2-amine?
4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 363.44 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 134816928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).