ethyl 5-[1-(3-methylanilino)-1-oxobutan-2-yl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

C19H20N4O5 — CID 46352953

IUPACethyl 5-[1-(3-methylanilino)-1-oxobutan-2-yl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2ncn(C(CC)C(=O)Nc3cccc(C)c3)c(=O)c12
InChIInChI=1S/C19H20N4O5/c1-4-13(16(24)21-12-8-6-7-11(3)9-12)23-10-20-17-14(18(23)25)15(22-28-17)19(26)27-5-2/h6-10,13H,4-5H2,1-3H3,(H,21,24)
InChIKeyQUUVUBMPRYRURJ-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.46
Rot. Bonds6

About ethyl 5-[1-(3-methylanilino)-1-oxobutan-2-yl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

ethyl 5-[1-(3-methylanilino)-1-oxobutan-2-yl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (PubChem CID 46352953) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is ethyl 5-[1-(3-methylanilino)-1-oxobutan-2-yl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[1-(3-methylanilino)-1-oxobutan-2-yl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
PubChem CID46352953
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Nameethyl 5-[1-(3-methylanilino)-1-oxobutan-2-yl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2ncn(C(CC)C(=O)Nc3cccc(C)c3)c(=O)c12
InChIInChI=1S/C19H20N4O5/c1-4-13(16(24)21-12-8-6-7-11(3)9-12)23-10-20-17-14(18(23)25)15(22-28-17)19(26)27-5-2/h6-10,13H,4-5H2,1-3H3,(H,21,24)
InChIKeyQUUVUBMPRYRURJ-UHFFFAOYSA-N
XLogP2.46
TPSA116.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 5-[1-(3-methylanilino)-1-oxobutan-2-yl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate with MolForge

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Related Compounds

N-(3-acetylphenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide
CID 53054130
(2S)-2-[3-(4-chlorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methoxy-5-methylphenyl)butanamide
CID 92874956
ethyl 5-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46352802
N-(5-chloro-2-methoxyphenyl)-2-[3-(4-chlorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]butanamide
CID 46350161
ethyl 5-[(2S)-1-(N-ethyl-3-methylanilino)-1-oxopropan-2-yl]-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 92875508
ethyl 4-[2-(3-methylanilino)-2-oxoethoxy]-6-oxo-1-phenylpyridazine-3-carboxylate
CID 7386822
2-amino-N-(3-methylphenyl)butanamide
CID 43649463
(2R)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N-(3-methylphenyl)butanamide
CID 98305113
ethyl 3-[[(2R)-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)butanoyl]amino]benzoate
CID 95074986
ethyl (2S)-2-[5-methyl-4-oxo-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]butanoate
CID 1078269
ethyl 4-[2-(6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)butanoylamino]benzoate
CID 50760969
(2S)-2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 92751506

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[1-(3-methylanilino)-1-oxobutan-2-yl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5-[1-(3-methylanilino)-1-oxobutan-2-yl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (CID 46352953) is ethyl 5-[1-(3-methylanilino)-1-oxobutan-2-yl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5-[1-(3-methylanilino)-1-oxobutan-2-yl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5-[1-(3-methylanilino)-1-oxobutan-2-yl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is CCOC(=O)c1noc2ncn(C(CC)C(=O)Nc3cccc(C)c3)c(=O)c12.
What is the InChIKey of ethyl 5-[1-(3-methylanilino)-1-oxobutan-2-yl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The InChIKey is QUUVUBMPRYRURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-4-13(16(24)21-12-8-6-7-11(3)9-12)23-10-20-17-14(18(23)25)15(22-28-17)19(26)27-5-2/h6-10,13H,4-5H2,1-3H3,(H,21,24).
What are the key properties of ethyl 5-[1-(3-methylanilino)-1-oxobutan-2-yl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
ethyl 5-[1-(3-methylanilino)-1-oxobutan-2-yl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate has a molecular weight of 384.39 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[1-(3-methylanilino)-1-oxobutan-2-yl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is sourced from PubChem (CID 46352953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).