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

C12H16N4O4 — CID 46350088

IUPACN-(3-methoxypropyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCOCCCNC(=O)Cn1cnc2onc(C)c2c1=O
InChIInChI=1S/C12H16N4O4/c1-8-10-11(20-15-8)14-7-16(12(10)18)6-9(17)13-4-3-5-19-2/h7H,3-6H2,1-2H3,(H,13,17)
InChIKeyCDIXMQZKTCNZNJ-UHFFFAOYSA-N
MW280.28 g/mol
LogP-0.15
Rot. Bonds6

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

N-(3-methoxypropyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 46350088) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID46350088
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC NameN-(3-methoxypropyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCOCCCNC(=O)Cn1cnc2onc(C)c2c1=O
InChIInChI=1S/C12H16N4O4/c1-8-10-11(20-15-8)14-7-16(12(10)18)6-9(17)13-4-3-5-19-2/h7H,3-6H2,1-2H3,(H,13,17)
InChIKeyCDIXMQZKTCNZNJ-UHFFFAOYSA-N
XLogP-0.15
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-methoxypropyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(3-methoxypropyl)acetamide
CID 46350102
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 20924646
2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methoxyethyl)acetamide
CID 20922429
N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086660
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 114585479
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 114583701
N-(2-methoxyphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086653
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086684
N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086651
2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N,N-dipropylacetamide
CID 46350083
N-(1,3-benzodioxol-5-yl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086674
N-(3-methoxypropyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 8521152

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 46350088) is N-(3-methoxypropyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide is COCCCNC(=O)Cn1cnc2onc(C)c2c1=O.
What is the InChIKey of N-(3-methoxypropyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is CDIXMQZKTCNZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-8-10-11(20-15-8)14-7-16(12(10)18)6-9(17)13-4-3-5-19-2/h7H,3-6H2,1-2H3,(H,13,17).
What are the key properties of N-(3-methoxypropyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-(3-methoxypropyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 280.28 g/mol, XLogP of -0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 46350088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).