3-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione

C14H13N3O5 — CID 2729169

IUPAC3-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione
SMILESCOc1cc(-c2onc3c2c(=O)n(C)c(=O)n3C)ccc1O
InChIInChI=1S/C14H13N3O5/c1-16-12-10(13(19)17(2)14(16)20)11(22-15-12)7-4-5-8(18)9(6-7)21-3/h4-6,18H,1-3H3
InChIKeyHAWFCUYUWXYUIK-UHFFFAOYSA-N
MW303.27 g/mol
LogP0.61
Rot. Bonds2

About 3-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione

3-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione (PubChem CID 2729169) has the molecular formula C14H13N3O5 and a molecular weight of 303.27 g/mol. Its IUPAC name is 3-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name3-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione
PubChem CID2729169
Molecular FormulaC14H13N3O5
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC Name3-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione
SMILESCOc1cc(-c2onc3c2c(=O)n(C)c(=O)n3C)ccc1O
InChIInChI=1S/C14H13N3O5/c1-16-12-10(13(19)17(2)14(16)20)11(22-15-12)7-4-5-8(18)9(6-7)21-3/h4-6,18H,1-3H3
InChIKeyHAWFCUYUWXYUIK-UHFFFAOYSA-N
XLogP0.61
TPSA99.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione?
The IUPAC name of 3-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione (CID 2729169) is 3-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione.
What is the SMILES notation for 3-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione?
The canonical SMILES for 3-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione is COc1cc(-c2onc3c2c(=O)n(C)c(=O)n3C)ccc1O.
What is the InChIKey of 3-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione?
The InChIKey is HAWFCUYUWXYUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5/c1-16-12-10(13(19)17(2)14(16)20)11(22-15-12)7-4-5-8(18)9(6-7)21-3/h4-6,18H,1-3H3.
What are the key properties of 3-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione?
3-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione has a molecular weight of 303.27 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 2729169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).