7a-(pyrimidin-2-yloxymethyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole

C10H13N3O3 — CID 102386622

IUPAC7a-(pyrimidin-2-yloxymethyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
SMILESc1cnc(OCC23COCN2COC3)nc1
InChIInChI=1S/C10H13N3O3/c1-2-11-9(12-3-1)16-6-10-4-14-7-13(10)8-15-5-10/h1-3H,4-8H2
InChIKeyCHKSEGKLYSEWFW-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.13
Rot. Bonds3

About 7a-(pyrimidin-2-yloxymethyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole

7a-(pyrimidin-2-yloxymethyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole (PubChem CID 102386622) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 7a-(pyrimidin-2-yloxymethyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole.

Molecular Properties

Compound Name7a-(pyrimidin-2-yloxymethyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
PubChem CID102386622
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name7a-(pyrimidin-2-yloxymethyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
SMILESc1cnc(OCC23COCN2COC3)nc1
InChIInChI=1S/C10H13N3O3/c1-2-11-9(12-3-1)16-6-10-4-14-7-13(10)8-15-5-10/h1-3H,4-8H2
InChIKeyCHKSEGKLYSEWFW-UHFFFAOYSA-N
XLogP-0.13
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7a-(pyrimidin-2-yloxymethyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole with MolForge

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Related Compounds

7a-[(6-chloropyridazin-3-yl)oxymethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
CID 102386626
1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-ylmethanethiol
CID 20623633
2-(2-pyrimidin-2-yloxyethoxy)pyrimidine
CID 172699862
2-sulfanyloxypyrimidine
CID 19387748
chloro-dimethyl-(pyrimidin-2-yloxymethyl)silane
CID 140798850
3-pyrimidin-2-yloxypropan-1-ol
CID 119093000
2-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethylamino)-1-pyridin-2-ylethanol
CID 138016433
8a-ethyl-1,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,4-a]pyridine
CID 122662743
(5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385039
1-[4-[(2-methyloxiran-2-yl)methoxy]phenyl]pyrazole
CID 146146312
(8R)-2-pyrimidin-2-yl-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124909678
7-(2,3-dimethylphenyl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidine
CID 175934612

Frequently Asked Questions

What is the IUPAC name of 7a-(pyrimidin-2-yloxymethyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The IUPAC name of 7a-(pyrimidin-2-yloxymethyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole (CID 102386622) is 7a-(pyrimidin-2-yloxymethyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole.
What is the SMILES notation for 7a-(pyrimidin-2-yloxymethyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The canonical SMILES for 7a-(pyrimidin-2-yloxymethyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is c1cnc(OCC23COCN2COC3)nc1.
What is the InChIKey of 7a-(pyrimidin-2-yloxymethyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The InChIKey is CHKSEGKLYSEWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-2-11-9(12-3-1)16-6-10-4-14-7-13(10)8-15-5-10/h1-3H,4-8H2.
What are the key properties of 7a-(pyrimidin-2-yloxymethyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
7a-(pyrimidin-2-yloxymethyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole has a molecular weight of 223.23 g/mol, XLogP of -0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-(pyrimidin-2-yloxymethyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is sourced from PubChem (CID 102386622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).