5-(2,5-dimethylpyrimidin-4-yl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C19H20N4O2 — CID 56758307

IUPAC5-(2,5-dimethylpyrimidin-4-yl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCOc1cccc(-c2noc3c2CN(c2nc(C)ncc2C)CC3)c1
InChIInChI=1S/C19H20N4O2/c1-12-10-20-13(2)21-19(12)23-8-7-17-16(11-23)18(22-25-17)14-5-4-6-15(9-14)24-3/h4-6,9-10H,7-8,11H2,1-3H3
InChIKeyKDSDGJRHQQEHEO-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.32
Rot. Bonds3

About 5-(2,5-dimethylpyrimidin-4-yl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

5-(2,5-dimethylpyrimidin-4-yl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 56758307) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrimidin-4-yl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(2,5-dimethylpyrimidin-4-yl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID56758307
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5-(2,5-dimethylpyrimidin-4-yl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCOc1cccc(-c2noc3c2CN(c2nc(C)ncc2C)CC3)c1
InChIInChI=1S/C19H20N4O2/c1-12-10-20-13(2)21-19(12)23-8-7-17-16(11-23)18(22-25-17)14-5-4-6-15(9-14)24-3/h4-6,9-10H,7-8,11H2,1-3H3
InChIKeyKDSDGJRHQQEHEO-UHFFFAOYSA-N
XLogP3.32
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpyrimidin-4-yl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-(2,5-dimethylpyrimidin-4-yl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 56758307) is 5-(2,5-dimethylpyrimidin-4-yl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(2,5-dimethylpyrimidin-4-yl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-(2,5-dimethylpyrimidin-4-yl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is COc1cccc(-c2noc3c2CN(c2nc(C)ncc2C)CC3)c1.
What is the InChIKey of 5-(2,5-dimethylpyrimidin-4-yl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is KDSDGJRHQQEHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-10-20-13(2)21-19(12)23-8-7-17-16(11-23)18(22-25-17)14-5-4-6-15(9-14)24-3/h4-6,9-10H,7-8,11H2,1-3H3.
What are the key properties of 5-(2,5-dimethylpyrimidin-4-yl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
5-(2,5-dimethylpyrimidin-4-yl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 336.40 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrimidin-4-yl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 56758307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).