N-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

C23H23N5O3 — CID 53041991

IUPACN-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCCCn1c(=O)c(C)nc2cc(-c3noc(C(C)NC(=O)c4ccccc4)n3)ccc21
InChIInChI=1S/C23H23N5O3/c1-4-12-28-19-11-10-17(13-18(19)24-15(3)23(28)30)20-26-22(31-27-20)14(2)25-21(29)16-8-6-5-7-9-16/h5-11,13-14H,4,12H2,1-3H3,(H,25,29)
InChIKeyBMFGBDYNOBNHBG-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.66
Rot. Bonds6

About N-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

N-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 53041991) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
PubChem CID53041991
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC NameN-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCCCn1c(=O)c(C)nc2cc(-c3noc(C(C)NC(=O)c4ccccc4)n3)ccc21
InChIInChI=1S/C23H23N5O3/c1-4-12-28-19-11-10-17(13-18(19)24-15(3)23(28)30)20-26-22(31-27-20)14(2)25-21(29)16-8-6-5-7-9-16/h5-11,13-14H,4,12H2,1-3H3,(H,25,29)
InChIKeyBMFGBDYNOBNHBG-UHFFFAOYSA-N
XLogP3.66
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 53065231
N-[2-methyl-1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
CID 53065232
N-[(1R)-1-[3-(1-ethyl-3-methyl-2-oxoquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 95067710
N-[1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 22586339
N-[(1R)-1-[3-(3-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 95102290
N-[1-[3-(3-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 53172588
N-[1-[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 53172631
N-[(1S)-1-[3-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 95092162
1,3-dimethyl-6-[5-[(1S)-1-phenoxyethyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
CID 92746553
N-[1-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 22586328
N-[(1R)-1-[3-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 92731214
3-methyl-1-propyl-6-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
CID 53065299

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The IUPAC name of N-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 53041991) is N-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for N-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The canonical SMILES for N-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is CCCn1c(=O)c(C)nc2cc(-c3noc(C(C)NC(=O)c4ccccc4)n3)ccc21.
What is the InChIKey of N-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The InChIKey is BMFGBDYNOBNHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-4-12-28-19-11-10-17(13-18(19)24-15(3)23(28)30)20-26-22(31-27-20)14(2)25-21(29)16-8-6-5-7-9-16/h5-11,13-14H,4,12H2,1-3H3,(H,25,29).
What are the key properties of N-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
N-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 417.47 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 53041991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).