3-methyl-1-propyl-6-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one

C20H18N4O2S — CID 53065299

IUPAC3-methyl-1-propyl-6-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
SMILESCCCn1c(=O)c(C)nc2cc(-c3noc(/C=C/c4cccs4)n3)ccc21
InChIInChI=1S/C20H18N4O2S/c1-3-10-24-17-8-6-14(12-16(17)21-13(2)20(24)25)19-22-18(26-23-19)9-7-15-5-4-11-27-15/h4-9,11-12H,3,10H2,1-2H3/b9-7+
InChIKeyWDKVCCABAABOHQ-VQHVLOKHSA-N
MW378.46 g/mol
LogP4.40
Rot. Bonds5

About 3-methyl-1-propyl-6-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one

3-methyl-1-propyl-6-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one (PubChem CID 53065299) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 3-methyl-1-propyl-6-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one.

Molecular Properties

Compound Name3-methyl-1-propyl-6-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
PubChem CID53065299
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name3-methyl-1-propyl-6-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
SMILESCCCn1c(=O)c(C)nc2cc(-c3noc(/C=C/c4cccs4)n3)ccc21
InChIInChI=1S/C20H18N4O2S/c1-3-10-24-17-8-6-14(12-16(17)21-13(2)20(24)25)19-22-18(26-23-19)9-7-15-5-4-11-27-15/h4-9,11-12H,3,10H2,1-2H3/b9-7+
InChIKeyWDKVCCABAABOHQ-VQHVLOKHSA-N
XLogP4.40
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propyl-6-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one?
The IUPAC name of 3-methyl-1-propyl-6-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one (CID 53065299) is 3-methyl-1-propyl-6-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one.
What is the SMILES notation for 3-methyl-1-propyl-6-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one?
The canonical SMILES for 3-methyl-1-propyl-6-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one is CCCn1c(=O)c(C)nc2cc(-c3noc(/C=C/c4cccs4)n3)ccc21.
What is the InChIKey of 3-methyl-1-propyl-6-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one?
The InChIKey is WDKVCCABAABOHQ-VQHVLOKHSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-3-10-24-17-8-6-14(12-16(17)21-13(2)20(24)25)19-22-18(26-23-19)9-7-15-5-4-11-27-15/h4-9,11-12H,3,10H2,1-2H3/b9-7+.
What are the key properties of 3-methyl-1-propyl-6-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one?
3-methyl-1-propyl-6-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one has a molecular weight of 378.46 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propyl-6-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one is sourced from PubChem (CID 53065299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).