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

C18H17ClN4O4 — CID 53086640

IUPACethyl 3-(2-chlorophenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1nc(N2CCOCC2)c2c(-c3ccccc3Cl)noc2n1
InChIInChI=1S/C18H17ClN4O4/c1-2-26-18(24)15-20-16(23-7-9-25-10-8-23)13-14(22-27-17(13)21-15)11-5-3-4-6-12(11)19/h3-6H,2,7-10H2,1H3
InChIKeyKYKQQLZREJSTON-UHFFFAOYSA-N
MW388.81 g/mol
LogP2.95
Rot. Bonds4

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

ethyl 3-(2-chlorophenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate (PubChem CID 53086640) has the molecular formula C18H17ClN4O4 and a molecular weight of 388.81 g/mol. Its IUPAC name is ethyl 3-(2-chlorophenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-chlorophenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
PubChem CID53086640
Molecular FormulaC18H17ClN4O4
Molecular Weight388.81 g/mol
Exact Mass388.09
IUPAC Nameethyl 3-(2-chlorophenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1nc(N2CCOCC2)c2c(-c3ccccc3Cl)noc2n1
InChIInChI=1S/C18H17ClN4O4/c1-2-26-18(24)15-20-16(23-7-9-25-10-8-23)13-14(22-27-17(13)21-15)11-5-3-4-6-12(11)19/h3-6H,2,7-10H2,1H3
InChIKeyKYKQQLZREJSTON-UHFFFAOYSA-N
XLogP2.95
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.81
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 3-(2-chlorophenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate with MolForge

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Related Compounds

ethyl 3-(2-chlorophenyl)-4-(3,4-dimethoxyanilino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
CID 53086632
ethyl 3-(2-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
CID 53086644
ethyl 3-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
CID 46349796
ethyl 3-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
CID 46349768
ethyl 3-(2-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 55191222
3-(2-chlorophenyl)-5-methyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 16889576
ethyl 4-morpholin-4-ylphthalazine-1-carboxylate
CID 42878220
3-(2-chlorophenyl)-5-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,2-oxazole-4-carboxamide
CID 122318975
3-(2-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 656333
ethyl 3-chloro-4-morpholin-4-ylbenzoate
CID 154210360
ethyl 5-(2-chlorophenyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 141465693
ethyl 4-[(5-methyl-4-morpholin-4-ylthieno[3,4-d]pyrimidine-2-carbonyl)amino]benzoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-chlorophenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 3-(2-chlorophenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate (CID 53086640) is ethyl 3-(2-chlorophenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 3-(2-chlorophenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 3-(2-chlorophenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate is CCOC(=O)c1nc(N2CCOCC2)c2c(-c3ccccc3Cl)noc2n1.
What is the InChIKey of ethyl 3-(2-chlorophenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
The InChIKey is KYKQQLZREJSTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O4/c1-2-26-18(24)15-20-16(23-7-9-25-10-8-23)13-14(22-27-17(13)21-15)11-5-3-4-6-12(11)19/h3-6H,2,7-10H2,1H3.
What are the key properties of ethyl 3-(2-chlorophenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
ethyl 3-(2-chlorophenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate has a molecular weight of 388.81 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-chlorophenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 53086640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).