1,3-dimethyl-6-[5-[(1S)-1-phenoxyethyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one

C20H18N4O3 — CID 92746553

IUPAC1,3-dimethyl-6-[5-[(1S)-1-phenoxyethyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
SMILESCc1nc2cc(-c3noc([C@H](C)Oc4ccccc4)n3)ccc2n(C)c1=O
InChIInChI=1S/C20H18N4O3/c1-12-20(25)24(3)17-10-9-14(11-16(17)21-12)18-22-19(27-23-18)13(2)26-15-7-5-4-6-8-15/h4-11,13H,1-3H3/t13-/m0/s1
InChIKeyTWWBQIDYNWOWBC-ZDUSSCGKSA-N
MW362.39 g/mol
LogP3.43
Rot. Bonds4

About 1,3-dimethyl-6-[5-[(1S)-1-phenoxyethyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one

1,3-dimethyl-6-[5-[(1S)-1-phenoxyethyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one (PubChem CID 92746553) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 1,3-dimethyl-6-[5-[(1S)-1-phenoxyethyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-6-[5-[(1S)-1-phenoxyethyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
PubChem CID92746553
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name1,3-dimethyl-6-[5-[(1S)-1-phenoxyethyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
SMILESCc1nc2cc(-c3noc([C@H](C)Oc4ccccc4)n3)ccc2n(C)c1=O
InChIInChI=1S/C20H18N4O3/c1-12-20(25)24(3)17-10-9-14(11-16(17)21-12)18-22-19(27-23-18)13(2)26-15-7-5-4-6-8-15/h4-11,13H,1-3H3/t13-/m0/s1
InChIKeyTWWBQIDYNWOWBC-ZDUSSCGKSA-N
XLogP3.43
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-6-[5-[(1S)-1-phenoxyethyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one with MolForge

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Related Compounds

3-(4-methoxyphenyl)-5-(1-phenoxyethyl)-1,2,4-oxadiazole
CID 4312065
N-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 53041991
3-(3-methoxyphenyl)-5-[(1R)-1-phenoxyethyl]-1,2,4-oxadiazole
CID 7356906
5-[1-(4-methylphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 17383688
6-[5-[(E)-2-(2-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-1,3-dimethylquinoxalin-2-one
CID 53065152
1,3-dimethyl-6-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
CID 53065136
7-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-4-ethyl-1H-quinoxaline-2,3-dione
CID 53065452
5-[1-(4-methoxyphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole
CID 2953085
5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 6472807
6-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-3-propyl-1H-benzimidazol-2-one
CID 53041999
3-(3,4-dimethoxyphenyl)-5-[1-(4-methylphenoxy)ethyl]-1,2,4-oxadiazole
CID 3160232
N-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 53065231

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[5-[(1S)-1-phenoxyethyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one?
The IUPAC name of 1,3-dimethyl-6-[5-[(1S)-1-phenoxyethyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one (CID 92746553) is 1,3-dimethyl-6-[5-[(1S)-1-phenoxyethyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one.
What is the SMILES notation for 1,3-dimethyl-6-[5-[(1S)-1-phenoxyethyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one?
The canonical SMILES for 1,3-dimethyl-6-[5-[(1S)-1-phenoxyethyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one is Cc1nc2cc(-c3noc([C@H](C)Oc4ccccc4)n3)ccc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[5-[(1S)-1-phenoxyethyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one?
The InChIKey is TWWBQIDYNWOWBC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-12-20(25)24(3)17-10-9-14(11-16(17)21-12)18-22-19(27-23-18)13(2)26-15-7-5-4-6-8-15/h4-11,13H,1-3H3/t13-/m0/s1.
What are the key properties of 1,3-dimethyl-6-[5-[(1S)-1-phenoxyethyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one?
1,3-dimethyl-6-[5-[(1S)-1-phenoxyethyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one has a molecular weight of 362.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[5-[(1S)-1-phenoxyethyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one is sourced from PubChem (CID 92746553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).