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

C16H16N4O5 — CID 53086660

IUPACN-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2cnc3onc(C)c3c2=O)cc(OC)c1
InChIInChI=1S/C16H16N4O5/c1-9-14-15(25-19-9)17-8-20(16(14)22)7-13(21)18-10-4-11(23-2)6-12(5-10)24-3/h4-6,8H,7H2,1-3H3,(H,18,21)
InChIKeyMEMQXYASNKNGIB-UHFFFAOYSA-N
MW344.33 g/mol
LogP1.35
Rot. Bonds5

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

N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 53086660) has the molecular formula C16H16N4O5 and a molecular weight of 344.33 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID53086660
Molecular FormulaC16H16N4O5
Molecular Weight344.33 g/mol
Exact Mass344.11
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2cnc3onc(C)c3c2=O)cc(OC)c1
InChIInChI=1S/C16H16N4O5/c1-9-14-15(25-19-9)17-8-20(16(14)22)7-13(21)18-10-4-11(23-2)6-12(5-10)24-3/h4-6,8H,7H2,1-3H3,(H,18,21)
InChIKeyMEMQXYASNKNGIB-UHFFFAOYSA-N
XLogP1.35
TPSA108.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-methoxyphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086653
N-(1,3-benzodioxol-5-yl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086674
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 20924646
N-(3-methoxypropyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 46350088
N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086651
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086684
N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide
CID 50839920
ethyl 3-[2-(4-methoxyanilino)-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651463
N-(3,5-dimethoxyphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 7959804
2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N,N-dipropylacetamide
CID 46350083
N-(3,5-dimethoxyphenyl)-2-[2-(4-ethylpiperazin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20933913
2-[6-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(3-methoxyphenyl)acetamide
CID 50743401

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 53086660) is N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide is COc1cc(NC(=O)Cn2cnc3onc(C)c3c2=O)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is MEMQXYASNKNGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O5/c1-9-14-15(25-19-9)17-8-20(16(14)22)7-13(21)18-10-4-11(23-2)6-12(5-10)24-3/h4-6,8H,7H2,1-3H3,(H,18,21).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 344.33 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 53086660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).