3-methyl-5-[[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole

C18H21N5O — CID 37301587

IUPAC3-methyl-5-[[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(c3nc4ccccc4nc3C)CC2)on1
InChIInChI=1S/C18H21N5O/c1-13-11-15(24-21-13)12-22-7-9-23(10-8-22)18-14(2)19-16-5-3-4-6-17(16)20-18/h3-6,11H,7-10,12H2,1-2H3
InChIKeyPUFUATITOJKGGP-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.56
Rot. Bonds3

About 3-methyl-5-[[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole

3-methyl-5-[[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 37301587) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-methyl-5-[[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID37301587
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name3-methyl-5-[[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(c3nc4ccccc4nc3C)CC2)on1
InChIInChI=1S/C18H21N5O/c1-13-11-15(24-21-13)12-22-7-9-23(10-8-22)18-14(2)19-16-5-3-4-6-17(16)20-18/h3-6,11H,7-10,12H2,1-2H3
InChIKeyPUFUATITOJKGGP-UHFFFAOYSA-N
XLogP2.56
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole (CID 37301587) is 3-methyl-5-[[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole is Cc1cc(CN2CCN(c3nc4ccccc4nc3C)CC2)on1.
What is the InChIKey of 3-methyl-5-[[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is PUFUATITOJKGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13-11-15(24-21-13)12-22-7-9-23(10-8-22)18-14(2)19-16-5-3-4-6-17(16)20-18/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of 3-methyl-5-[[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole?
3-methyl-5-[[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 323.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 37301587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).