ethyl 3-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate

C14H19N5O3 — CID 46349768

IUPACethyl 3-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1nc(N2CCN(C)CC2)c2c(C)noc2n1
InChIInChI=1S/C14H19N5O3/c1-4-21-14(20)11-15-12(19-7-5-18(3)6-8-19)10-9(2)17-22-13(10)16-11/h4-8H2,1-3H3
InChIKeyYJUXKVQMNAEWEX-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.85
Rot. Bonds3

About ethyl 3-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate

ethyl 3-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate (PubChem CID 46349768) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is ethyl 3-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
PubChem CID46349768
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Nameethyl 3-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1nc(N2CCN(C)CC2)c2c(C)noc2n1
InChIInChI=1S/C14H19N5O3/c1-4-21-14(20)11-15-12(19-7-5-18(3)6-8-19)10-9(2)17-22-13(10)16-11/h4-8H2,1-3H3
InChIKeyYJUXKVQMNAEWEX-UHFFFAOYSA-N
XLogP0.85
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 3-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
CID 46349796
ethyl 3-(2-chlorophenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
CID 53086640
ethyl 4-[[(2R)-butan-2-yl]amino]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
CID 92726131
ethyl 4-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propylamino]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
CID 46349829
ethyl 3-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylamino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
CID 46349810
ethyl 4-(2,6-dimethylanilino)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
CID 53000501
ethyl 3-methyl-4-[(4-methylphenyl)methylamino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
CID 46349816
ethyl 4-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidine-5-carboxylate
CID 5072145
ethyl 4-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazine-1-carboxylate
CID 36860748
ethyl 2-(furan-2-yl)-4-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate
CID 59517674
ethyl 4-(3-bromoanilino)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
CID 53008054
ethyl 2,6-dimethyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20925009

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 3-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate (CID 46349768) is ethyl 3-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 3-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 3-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate is CCOC(=O)c1nc(N2CCN(C)CC2)c2c(C)noc2n1.
What is the InChIKey of ethyl 3-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
The InChIKey is YJUXKVQMNAEWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-4-21-14(20)11-15-12(19-7-5-18(3)6-8-19)10-9(2)17-22-13(10)16-11/h4-8H2,1-3H3.
What are the key properties of ethyl 3-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
ethyl 3-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate has a molecular weight of 305.34 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 46349768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).