[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate

C21H18N4O3 — CID 2996247

IUPAC[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate
SMILESCc1ccc(-c2nnc(COC(=O)c3ccc4nc(C)c(C)nc4c3)o2)cc1
InChIInChI=1S/C21H18N4O3/c1-12-4-6-15(7-5-12)20-25-24-19(28-20)11-27-21(26)16-8-9-17-18(10-16)23-14(3)13(2)22-17/h4-10H,11H2,1-3H3
InChIKeyUBCFNQUYCLGHMK-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.96
Rot. Bonds4

About [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate

[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate (PubChem CID 2996247) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate.

Molecular Properties

Compound Name[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate
PubChem CID2996247
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate
SMILESCc1ccc(-c2nnc(COC(=O)c3ccc4nc(C)c(C)nc4c3)o2)cc1
InChIInChI=1S/C21H18N4O3/c1-12-4-6-15(7-5-12)20-25-24-19(28-20)11-27-21(26)16-8-9-17-18(10-16)23-14(3)13(2)22-17/h4-10H,11H2,1-3H3
InChIKeyUBCFNQUYCLGHMK-UHFFFAOYSA-N
XLogP3.96
TPSA91.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate with MolForge

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Related Compounds

[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 55545711
[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methylbenzoate
CID 7971468
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,4-dimethoxybenzoate
CID 8010721
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methoxybenzoate
CID 7861717
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-bromobenzoate
CID 2642860
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-methylbenzoyl)benzoate
CID 2109285
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 31858135
[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 3,4-dimethylbenzoate
CID 7793900
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(hydroxymethyl)benzoate
CID 8845155
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl naphthalene-2-carboxylate
CID 7980561
(4-chlorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 6459752
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,4,6-trimethylbenzoate
CID 7472802

Frequently Asked Questions

What is the IUPAC name of [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate?
The IUPAC name of [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate (CID 2996247) is [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate.
What is the SMILES notation for [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate?
The canonical SMILES for [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate is Cc1ccc(-c2nnc(COC(=O)c3ccc4nc(C)c(C)nc4c3)o2)cc1.
What is the InChIKey of [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate?
The InChIKey is UBCFNQUYCLGHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-12-4-6-15(7-5-12)20-25-24-19(28-20)11-27-21(26)16-8-9-17-18(10-16)23-14(3)13(2)22-17/h4-10H,11H2,1-3H3.
What are the key properties of [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate?
[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate has a molecular weight of 374.40 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate is sourced from PubChem (CID 2996247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).