1-[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine

C19H23N3O2S — CID 42121138

IUPAC1-[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESCOc1cc(C)c(-c2nc(CN(C)Cc3nccs3)c(C)o2)cc1C
InChIInChI=1S/C19H23N3O2S/c1-12-9-17(23-5)13(2)8-15(12)19-21-16(14(3)24-19)10-22(4)11-18-20-6-7-25-18/h6-9H,10-11H2,1-5H3
InChIKeyJAVWNDKEJRTRSI-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.36
Rot. Bonds6

About 1-[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine

1-[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 42121138) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 1-[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID42121138
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name1-[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESCOc1cc(C)c(-c2nc(CN(C)Cc3nccs3)c(C)o2)cc1C
InChIInChI=1S/C19H23N3O2S/c1-12-9-17(23-5)13(2)8-15(12)19-21-16(14(3)24-19)10-22(4)11-18-20-6-7-25-18/h6-9H,10-11H2,1-5H3
InChIKeyJAVWNDKEJRTRSI-UHFFFAOYSA-N
XLogP4.36
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 42121138) is 1-[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine is COc1cc(C)c(-c2nc(CN(C)Cc3nccs3)c(C)o2)cc1C.
What is the InChIKey of 1-[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is JAVWNDKEJRTRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-12-9-17(23-5)13(2)8-15(12)19-21-16(14(3)24-19)10-22(4)11-18-20-6-7-25-18/h6-9H,10-11H2,1-5H3.
What are the key properties of 1-[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 357.48 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 42121138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).