2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide

C18H20N4O4 — CID 53086832

IUPAC2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCc1noc2nc(C)n(CC(=O)NCc3ccccc3OC)c(=O)c12
InChIInChI=1S/C18H20N4O4/c1-4-13-16-17(26-21-13)20-11(2)22(18(16)24)10-15(23)19-9-12-7-5-6-8-14(12)25-3/h5-8H,4,9-10H2,1-3H3,(H,19,23)
InChIKeySAOAOEZZHPLLKC-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.58
Rot. Bonds6

About 2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide

2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 53086832) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID53086832
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCc1noc2nc(C)n(CC(=O)NCc3ccccc3OC)c(=O)c12
InChIInChI=1S/C18H20N4O4/c1-4-13-16-17(26-21-13)20-11(2)22(18(16)24)10-15(23)19-9-12-7-5-6-8-14(12)25-3/h5-8H,4,9-10H2,1-3H3,(H,19,23)
InChIKeySAOAOEZZHPLLKC-UHFFFAOYSA-N
XLogP1.58
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(2-methoxyphenyl)acetamide
CID 53086688
N-[(2-methoxyphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110410122
2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 53024095
N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179207
N-[(2-methoxyphenyl)methyl]-2-(1-oxoisoquinolin-2-yl)acetamide
CID 4171042
2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(3-methoxypropyl)acetamide
CID 46350102
2-(4-ethyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 20884534
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 20884692
2-(2-ethylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
CID 2709267
ethyl 4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxylate
CID 8932090
N-[(2-methoxyphenyl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686502

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide (CID 53086832) is 2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide is CCc1noc2nc(C)n(CC(=O)NCc3ccccc3OC)c(=O)c12.
What is the InChIKey of 2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is SAOAOEZZHPLLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-4-13-16-17(26-21-13)20-11(2)22(18(16)24)10-15(23)19-9-12-7-5-6-8-14(12)25-3/h5-8H,4,9-10H2,1-3H3,(H,19,23).
What are the key properties of 2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 356.38 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 53086832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).