(5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoxaline-2-carboxylate

C18H12N4O3 — CID 8610510

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoxaline-2-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)c1cnc2ccccc2n1
InChIInChI=1S/C18H12N4O3/c23-18(15-10-19-13-8-4-5-9-14(13)20-15)24-11-16-21-22-17(25-16)12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyYTTKGXUNXSQSFF-UHFFFAOYSA-N
MW332.32 g/mol
LogP3.04
Rot. Bonds4

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoxaline-2-carboxylate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoxaline-2-carboxylate (PubChem CID 8610510) has the molecular formula C18H12N4O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoxaline-2-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoxaline-2-carboxylate
PubChem CID8610510
Molecular FormulaC18H12N4O3
Molecular Weight332.32 g/mol
Exact Mass332.09
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoxaline-2-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)c1cnc2ccccc2n1
InChIInChI=1S/C18H12N4O3/c23-18(15-10-19-13-8-4-5-9-14(13)20-15)24-11-16-21-22-17(25-16)12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyYTTKGXUNXSQSFF-UHFFFAOYSA-N
XLogP3.04
TPSA91.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-phenylquinoline-4-carboxylate
CID 35779220
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,4,6-trimethylbenzoate
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(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-methylpyrazole-4-carboxylate
CID 27926807
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-quinoxalin-2-ylsulfanylacetate
CID 24530851
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(1,3-benzothiazol-2-yl)benzoate
CID 7417926
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-bromobenzoate
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(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 16527478
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-phenylsulfanylpropanoate
CID 78546049
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2647320
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-hydroxyphenyl)diazenyl]benzoate
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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoxaline-2-carboxylate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoxaline-2-carboxylate (CID 8610510) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoxaline-2-carboxylate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoxaline-2-carboxylate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoxaline-2-carboxylate is O=C(OCc1nnc(-c2ccccc2)o1)c1cnc2ccccc2n1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoxaline-2-carboxylate?
The InChIKey is YTTKGXUNXSQSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O3/c23-18(15-10-19-13-8-4-5-9-14(13)20-15)24-11-16-21-22-17(25-16)12-6-2-1-3-7-12/h1-10H,11H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoxaline-2-carboxylate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoxaline-2-carboxylate has a molecular weight of 332.32 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoxaline-2-carboxylate is sourced from PubChem (CID 8610510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).