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

C18H11ClN4O3 — CID 55552084

IUPAC[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl quinoxaline-6-carboxylate
SMILESO=C(OCc1noc(-c2ccccc2Cl)n1)c1ccc2nccnc2c1
InChIInChI=1S/C18H11ClN4O3/c19-13-4-2-1-3-12(13)17-22-16(23-26-17)10-25-18(24)11-5-6-14-15(9-11)21-8-7-20-14/h1-9H,10H2
InChIKeyMJPZZLLTTSWVTE-UHFFFAOYSA-N
MW366.76 g/mol
LogP3.69
Rot. Bonds4

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

[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl quinoxaline-6-carboxylate (PubChem CID 55552084) has the molecular formula C18H11ClN4O3 and a molecular weight of 366.76 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl quinoxaline-6-carboxylate.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl quinoxaline-6-carboxylate
PubChem CID55552084
Molecular FormulaC18H11ClN4O3
Molecular Weight366.76 g/mol
Exact Mass366.05
IUPAC Name[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl quinoxaline-6-carboxylate
SMILESO=C(OCc1noc(-c2ccccc2Cl)n1)c1ccc2nccnc2c1
InChIInChI=1S/C18H11ClN4O3/c19-13-4-2-1-3-12(13)17-22-16(23-26-17)10-25-18(24)11-5-6-14-15(9-11)21-8-7-20-14/h1-9H,10H2
InChIKeyMJPZZLLTTSWVTE-UHFFFAOYSA-N
XLogP3.69
TPSA91.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.76
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2,6-dichlorophenyl)methyl quinoxaline-6-carboxylate
CID 7677110
[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenoxy)propanoate
CID 55545324
[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
CID 55551681
1-[5-chloro-2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethanone
CID 38859705
(3-chlorophenyl)methyl quinoxaline-6-carboxylate
CID 7677097
[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 31530881
[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 9-oxofluorene-2-carboxylate
CID 24669546
[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
CID 31532566
[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 55552821
[2-(2,6-dichloroanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7677317
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl quinoxaline-6-carboxylate
CID 17478413
[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 31531807

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl quinoxaline-6-carboxylate?
The IUPAC name of [5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl quinoxaline-6-carboxylate (CID 55552084) is [5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl quinoxaline-6-carboxylate.
What is the SMILES notation for [5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl quinoxaline-6-carboxylate?
The canonical SMILES for [5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl quinoxaline-6-carboxylate is O=C(OCc1noc(-c2ccccc2Cl)n1)c1ccc2nccnc2c1.
What is the InChIKey of [5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl quinoxaline-6-carboxylate?
The InChIKey is MJPZZLLTTSWVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN4O3/c19-13-4-2-1-3-12(13)17-22-16(23-26-17)10-25-18(24)11-5-6-14-15(9-11)21-8-7-20-14/h1-9H,10H2.
What are the key properties of [5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl quinoxaline-6-carboxylate?
[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl quinoxaline-6-carboxylate has a molecular weight of 366.76 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl quinoxaline-6-carboxylate is sourced from PubChem (CID 55552084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).