3-(4,5-dimethyl-1,3-oxazol-2-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]aniline

C17H19N3O2S — CID 75385149

IUPAC3-(4,5-dimethyl-1,3-oxazol-2-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]aniline
SMILESCOCc1nc(CNc2cccc(-c3nc(C)c(C)o3)c2)cs1
InChIInChI=1S/C17H19N3O2S/c1-11-12(2)22-17(19-11)13-5-4-6-14(7-13)18-8-15-10-23-16(20-15)9-21-3/h4-7,10,18H,8-9H2,1-3H3
InChIKeyFHTRHKJTXXJXLM-UHFFFAOYSA-N
MW329.43 g/mol
LogP4.17
Rot. Bonds6

About 3-(4,5-dimethyl-1,3-oxazol-2-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]aniline

3-(4,5-dimethyl-1,3-oxazol-2-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]aniline (PubChem CID 75385149) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,3-oxazol-2-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]aniline.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,3-oxazol-2-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]aniline
PubChem CID75385149
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name3-(4,5-dimethyl-1,3-oxazol-2-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]aniline
SMILESCOCc1nc(CNc2cccc(-c3nc(C)c(C)o3)c2)cs1
InChIInChI=1S/C17H19N3O2S/c1-11-12(2)22-17(19-11)13-5-4-6-14(7-13)18-8-15-10-23-16(20-15)9-21-3/h4-7,10,18H,8-9H2,1-3H3
InChIKeyFHTRHKJTXXJXLM-UHFFFAOYSA-N
XLogP4.17
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1,3-oxazol-2-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]aniline?
The IUPAC name of 3-(4,5-dimethyl-1,3-oxazol-2-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]aniline (CID 75385149) is 3-(4,5-dimethyl-1,3-oxazol-2-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]aniline.
What is the SMILES notation for 3-(4,5-dimethyl-1,3-oxazol-2-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]aniline?
The canonical SMILES for 3-(4,5-dimethyl-1,3-oxazol-2-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]aniline is COCc1nc(CNc2cccc(-c3nc(C)c(C)o3)c2)cs1.
What is the InChIKey of 3-(4,5-dimethyl-1,3-oxazol-2-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]aniline?
The InChIKey is FHTRHKJTXXJXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11-12(2)22-17(19-11)13-5-4-6-14(7-13)18-8-15-10-23-16(20-15)9-21-3/h4-7,10,18H,8-9H2,1-3H3.
What are the key properties of 3-(4,5-dimethyl-1,3-oxazol-2-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]aniline?
3-(4,5-dimethyl-1,3-oxazol-2-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]aniline has a molecular weight of 329.43 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,3-oxazol-2-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]aniline is sourced from PubChem (CID 75385149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).