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

C20H24N4O4 — CID 53086846

IUPAC2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCCc1noc2nc(C)n(CC(=O)NCc3ccc(OC(C)C)cc3)c(=O)c12
InChIInChI=1S/C20H24N4O4/c1-5-16-18-19(28-23-16)22-13(4)24(20(18)26)11-17(25)21-10-14-6-8-15(9-7-14)27-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,21,25)
InChIKeyDQXVXGYBQBBJJO-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.36
Rot. Bonds7

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

2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 53086846) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID53086846
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCCc1noc2nc(C)n(CC(=O)NCc3ccc(OC(C)C)cc3)c(=O)c12
InChIInChI=1S/C20H24N4O4/c1-5-16-18-19(28-23-16)22-13(4)24(20(18)26)11-17(25)21-10-14-6-8-15(9-7-14)27-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,21,25)
InChIKeyDQXVXGYBQBBJJO-UHFFFAOYSA-N
XLogP2.36
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 53086832
2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 53199034
N-[(4-chlorophenyl)methyl]-2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086738
ethyl 6-methyl-5-[2-[2-(4-methylphenyl)ethylamino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46352897
3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 53024256
(3R)-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 92745897
2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54838126
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135
2-(4-oxocinnolin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 134049978
ethyl 3-methyl-4-[(4-propan-2-yloxyphenyl)methylamino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
CID 53086530
3-[3-(3,5-difluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 50759170
2-(butylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54815317

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-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (CID 53086846) is 2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(4-propan-2-yloxyphenyl)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-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is CCc1noc2nc(C)n(CC(=O)NCc3ccc(OC(C)C)cc3)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-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is DQXVXGYBQBBJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-5-16-18-19(28-23-16)22-13(4)24(20(18)26)11-17(25)21-10-14-6-8-15(9-7-14)27-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,21,25).
What are the key properties of 2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 384.44 g/mol, XLogP of 2.36, 7 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-[(4-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 53086846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).