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

C21H23N5O3 — CID 53012897

IUPAC2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
SMILESCCc1nc2onc(C)c2c(=O)n1CC(=O)NCCc1c[nH]c2ccc(C)cc12
InChIInChI=1S/C21H23N5O3/c1-4-17-24-20-19(13(3)25-29-20)21(28)26(17)11-18(27)22-8-7-14-10-23-16-6-5-12(2)9-15(14)16/h5-6,9-10,23H,4,7-8,11H2,1-3H3,(H,22,27)
InChIKeyQGBMFBITEDIONN-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.40
Rot. Bonds6

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

2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide (PubChem CID 53012897) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
PubChem CID53012897
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
SMILESCCc1nc2onc(C)c2c(=O)n1CC(=O)NCCc1c[nH]c2ccc(C)cc12
InChIInChI=1S/C21H23N5O3/c1-4-17-24-20-19(13(3)25-29-20)21(28)26(17)11-18(27)22-8-7-14-10-23-16-6-5-12(2)9-15(14)16/h5-6,9-10,23H,4,7-8,11H2,1-3H3,(H,22,27)
InChIKeyQGBMFBITEDIONN-UHFFFAOYSA-N
XLogP2.40
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide with MolForge

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Related Compounds

2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17339304
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 50781098
2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17271899
ethyl 5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylate;hydrochloride
CID 90485840
2-ethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]hexanamide
CID 17271853
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 56763640
ethyl 4-[2-(5-chloro-1H-indol-3-yl)ethylamino]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
CID 53008055
N-[2-(1H-indol-3-yl)ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 45490639
N-(2,6-dimethylphenyl)-2-[2-(5-methyl-1H-indol-3-yl)ethylamino]acetamide
CID 17066776
(2R)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 7248046
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylsulfanylpropanamide
CID 17272014
1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 50781229

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide (CID 53012897) is 2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide is CCc1nc2onc(C)c2c(=O)n1CC(=O)NCCc1c[nH]c2ccc(C)cc12.
What is the InChIKey of 2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is QGBMFBITEDIONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-4-17-24-20-19(13(3)25-29-20)21(28)26(17)11-18(27)22-8-7-14-10-23-16-6-5-12(2)9-15(14)16/h5-6,9-10,23H,4,7-8,11H2,1-3H3,(H,22,27).
What are the key properties of 2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide?
2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 393.45 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 53012897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).