2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N,N-dipropylacetamide

C14H20N4O3 — CID 46350083

IUPAC2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cn1cnc2onc(C)c2c1=O
InChIInChI=1S/C14H20N4O3/c1-4-6-17(7-5-2)11(19)8-18-9-15-13-12(14(18)20)10(3)16-21-13/h9H,4-8H2,1-3H3
InChIKeyVSEGTWQKWNMUKJ-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.34
Rot. Bonds6

About 2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N,N-dipropylacetamide

2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N,N-dipropylacetamide (PubChem CID 46350083) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N,N-dipropylacetamide
PubChem CID46350083
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cn1cnc2onc(C)c2c1=O
InChIInChI=1S/C14H20N4O3/c1-4-6-17(7-5-2)11(19)8-18-9-15-13-12(14(18)20)10(3)16-21-13/h9H,4-8H2,1-3H3
InChIKeyVSEGTWQKWNMUKJ-UHFFFAOYSA-N
XLogP1.34
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N,N-dipropylacetamide?
The IUPAC name of 2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N,N-dipropylacetamide (CID 46350083) is 2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N,N-dipropylacetamide.
What is the SMILES notation for 2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N,N-dipropylacetamide?
The canonical SMILES for 2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cn1cnc2onc(C)c2c1=O.
What is the InChIKey of 2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N,N-dipropylacetamide?
The InChIKey is VSEGTWQKWNMUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-4-6-17(7-5-2)11(19)8-18-9-15-13-12(14(18)20)10(3)16-21-13/h9H,4-8H2,1-3H3.
What are the key properties of 2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N,N-dipropylacetamide?
2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N,N-dipropylacetamide has a molecular weight of 292.34 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N,N-dipropylacetamide is sourced from PubChem (CID 46350083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).