3-(2,5-dimethoxyphenyl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,2-oxazole

C16H16N4O5 — CID 155811921

IUPAC3-(2,5-dimethoxyphenyl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,2-oxazole
SMILESCOc1ccc(OC)c(-c2cc(-c3nc(OC)nc(OC)n3)on2)c1
InChIInChI=1S/C16H16N4O5/c1-21-9-5-6-12(22-2)10(7-9)11-8-13(25-20-11)14-17-15(23-3)19-16(18-14)24-4/h5-8H,1-4H3
InChIKeyYLNDQWMNSDOLPC-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.23
Rot. Bonds6

About 3-(2,5-dimethoxyphenyl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,2-oxazole

3-(2,5-dimethoxyphenyl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,2-oxazole (PubChem CID 155811921) has the molecular formula C16H16N4O5 and a molecular weight of 344.33 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,2-oxazole
PubChem CID155811921
Molecular FormulaC16H16N4O5
Molecular Weight344.33 g/mol
Exact Mass344.11
IUPAC Name3-(2,5-dimethoxyphenyl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,2-oxazole
SMILESCOc1ccc(OC)c(-c2cc(-c3nc(OC)nc(OC)n3)on2)c1
InChIInChI=1S/C16H16N4O5/c1-21-9-5-6-12(22-2)10(7-9)11-8-13(25-20-11)14-17-15(23-3)19-16(18-14)24-4/h5-8H,1-4H3
InChIKeyYLNDQWMNSDOLPC-UHFFFAOYSA-N
XLogP2.23
TPSA101.62 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3,5-bis(2,4-dimethoxyphenyl)-1,2-oxazole
CID 19586357
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
3-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide
CID 776499
4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine
CID 75359779
2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008127
3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920
5-(2,5-dimethoxyphenyl)-1,2-oxazole
CID 65240254
2-(2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 62204234
2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole
CID 62922717
2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole
CID 82083376
4-(2,5-dimethoxyphenyl)-N-ethyl-1,3-thiazol-2-amine
CID 8962407
3-(5-chloro-2-methoxyphenyl)-5-phenyl-1,2-oxazole
CID 150298354

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,2-oxazole?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,2-oxazole (CID 155811921) is 3-(2,5-dimethoxyphenyl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,2-oxazole?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,2-oxazole is COc1ccc(OC)c(-c2cc(-c3nc(OC)nc(OC)n3)on2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,2-oxazole?
The InChIKey is YLNDQWMNSDOLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O5/c1-21-9-5-6-12(22-2)10(7-9)11-8-13(25-20-11)14-17-15(23-3)19-16(18-14)24-4/h5-8H,1-4H3.
What are the key properties of 3-(2,5-dimethoxyphenyl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,2-oxazole?
3-(2,5-dimethoxyphenyl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,2-oxazole has a molecular weight of 344.33 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,2-oxazole is sourced from PubChem (CID 155811921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).