ethyl 5-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

C15H12ClN5O5 — CID 46352823

IUPACethyl 5-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2ncn(CC(=O)Nc3ccc(Cl)cn3)c(=O)c12
InChIInChI=1S/C15H12ClN5O5/c1-2-25-15(24)12-11-13(26-20-12)18-7-21(14(11)23)6-10(22)19-9-4-3-8(16)5-17-9/h3-5,7H,2,6H2,1H3,(H,17,19,22)
InChIKeyBSGRKWUXNQMGPY-UHFFFAOYSA-N
MW377.74 g/mol
LogP1.25
Rot. Bonds5

About ethyl 5-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

ethyl 5-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (PubChem CID 46352823) has the molecular formula C15H12ClN5O5 and a molecular weight of 377.74 g/mol. Its IUPAC name is ethyl 5-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
PubChem CID46352823
Molecular FormulaC15H12ClN5O5
Molecular Weight377.74 g/mol
Exact Mass377.05
IUPAC Nameethyl 5-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2ncn(CC(=O)Nc3ccc(Cl)cn3)c(=O)c12
InChIInChI=1S/C15H12ClN5O5/c1-2-25-15(24)12-11-13(26-20-12)18-7-21(14(11)23)6-10(22)19-9-4-3-8(16)5-17-9/h3-5,7H,2,6H2,1H3,(H,17,19,22)
InChIKeyBSGRKWUXNQMGPY-UHFFFAOYSA-N
XLogP1.25
TPSA129.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.74
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 5-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate with MolForge

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Related Compounds

Ethyl 5-{[(3-chlorophenyl)carbamoyl]methyl}-4-oxo-4H,5H-[1,2]oxazolo[5,4-D]pyrimidine-3-carboxylate
CID 16029575
Ethyl 4-[(3-chloro-4-fluorophenyl)amino]-[1,2]oxazolo[5,4-D]pyrimidine-3-carboxylate
CID 20947833
Ethyl 4-[(2-chloro-4-fluorophenyl)amino]-[1,2]oxazolo[5,4-D]pyrimidine-3-carboxylate
CID 46340118
Ethyl 4-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}carbonyl)-5-methylisoxazole-3-carboxylate
CID 2774337
[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 46574572
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 3583113
Ethyl 4-[(3-chlorophenyl)amino]-[1,2]oxazolo[5,4-D]pyrimidine-3-carboxylate
CID 20947832
Ethyl 4-[(3-chlorophenyl)(methyl)amino]-[1,2]oxazolo[5,4-D]pyrimidine-3-carboxylate
CID 46340139
Ethyl 4-[(4-chlorophenyl)amino]-[1,2]oxazolo[5,4-D]pyrimidine-3-carboxylate
CID 46340162
Ethyl 5-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46352779
Ethyl 6-methyl-5-{[(6-methylpyridin-2-YL)carbamoyl]methyl}-4-oxo-4H,5H-[1,2]oxazolo[5,4-D]pyrimidine-3-carboxylate
CID 46352858
Methyl 5-chloro-2-(1,2-oxazole-3-carbonylamino)pyridine-4-carboxylate
CID 162357260

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (CID 46352823) is ethyl 5-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is CCOC(=O)c1noc2ncn(CC(=O)Nc3ccc(Cl)cn3)c(=O)c12.
What is the InChIKey of ethyl 5-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The InChIKey is BSGRKWUXNQMGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O5/c1-2-25-15(24)12-11-13(26-20-12)18-7-21(14(11)23)6-10(22)19-9-4-3-8(16)5-17-9/h3-5,7H,2,6H2,1H3,(H,17,19,22).
What are the key properties of ethyl 5-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
ethyl 5-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate has a molecular weight of 377.74 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is sourced from PubChem (CID 46352823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).