ethyl 3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate

C23H27N5O4 — CID 46093160

IUPACethyl 3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(C(=O)c2c(C)noc2C)CC1
InChIInChI=1S/C23H27N5O4/c1-6-31-23(30)20-21(25-18-12-14(3)13(2)11-17(18)24-20)27-7-9-28(10-8-27)22(29)19-15(4)26-32-16(19)5/h11-12H,6-10H2,1-5H3
InChIKeyZDGPCQZNZJTYOE-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.99
Rot. Bonds4

About ethyl 3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate

ethyl 3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate (PubChem CID 46093160) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is ethyl 3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate
PubChem CID46093160
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Nameethyl 3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(C(=O)c2c(C)noc2C)CC1
InChIInChI=1S/C23H27N5O4/c1-6-31-23(30)20-21(25-18-12-14(3)13(2)11-17(18)24-20)27-7-9-28(10-8-27)22(29)19-15(4)26-32-16(19)5/h11-12H,6-10H2,1-5H3
InChIKeyZDGPCQZNZJTYOE-UHFFFAOYSA-N
XLogP2.99
TPSA101.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate?
The IUPAC name of ethyl 3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate (CID 46093160) is ethyl 3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate?
The canonical SMILES for ethyl 3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate is CCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(C(=O)c2c(C)noc2C)CC1.
What is the InChIKey of ethyl 3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate?
The InChIKey is ZDGPCQZNZJTYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-6-31-23(30)20-21(25-18-12-14(3)13(2)11-17(18)24-20)27-7-9-28(10-8-27)22(29)19-15(4)26-32-16(19)5/h11-12H,6-10H2,1-5H3.
What are the key properties of ethyl 3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate?
ethyl 3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate has a molecular weight of 437.50 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate is sourced from PubChem (CID 46093160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).