N-[[3-(3-methyl-2-oxo-1-propan-2-ylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide

C23H23N5O3 — CID 53065210

IUPACN-[[3-(3-methyl-2-oxo-1-propan-2-ylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
SMILESCc1nc2cc(-c3noc(CNC(=O)Cc4ccccc4)n3)ccc2n(C(C)C)c1=O
InChIInChI=1S/C23H23N5O3/c1-14(2)28-19-10-9-17(12-18(19)25-15(3)23(28)30)22-26-21(31-27-22)13-24-20(29)11-16-7-5-4-6-8-16/h4-10,12,14H,11,13H2,1-3H3,(H,24,29)
InChIKeyDAWCMMFBTZYDFG-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.19
Rot. Bonds6

About N-[[3-(3-methyl-2-oxo-1-propan-2-ylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide

N-[[3-(3-methyl-2-oxo-1-propan-2-ylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide (PubChem CID 53065210) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[[3-(3-methyl-2-oxo-1-propan-2-ylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[3-(3-methyl-2-oxo-1-propan-2-ylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
PubChem CID53065210
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC NameN-[[3-(3-methyl-2-oxo-1-propan-2-ylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
SMILESCc1nc2cc(-c3noc(CNC(=O)Cc4ccccc4)n3)ccc2n(C(C)C)c1=O
InChIInChI=1S/C23H23N5O3/c1-14(2)28-19-10-9-17(12-18(19)25-15(3)23(28)30)22-26-21(31-27-22)13-24-20(29)11-16-7-5-4-6-8-16/h4-10,12,14H,11,13H2,1-3H3,(H,24,29)
InChIKeyDAWCMMFBTZYDFG-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(1-cyclopentyl-3-methyl-2-oxoquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53065324
6-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propan-2-ylquinoxalin-2-one
CID 53065215
N-[[3-(2,3-dioxo-1-propan-2-yl-4H-quinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
CID 53065465
3-methyl-1-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)quinoxalin-2-one
CID 53065217
N-[[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53103259
2-(4-chlorophenyl)-N-[[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 22586334
N-[[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53103239
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-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 53041991
N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 46296149
2-(4-chlorophenyl)-N-[[3-(1-ethyl-2,3-dioxo-4H-quinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 53065405
2-(2,5-dimethylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 50875120

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methyl-2-oxo-1-propan-2-ylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[3-(3-methyl-2-oxo-1-propan-2-ylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide (CID 53065210) is N-[[3-(3-methyl-2-oxo-1-propan-2-ylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[3-(3-methyl-2-oxo-1-propan-2-ylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[3-(3-methyl-2-oxo-1-propan-2-ylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide is Cc1nc2cc(-c3noc(CNC(=O)Cc4ccccc4)n3)ccc2n(C(C)C)c1=O.
What is the InChIKey of N-[[3-(3-methyl-2-oxo-1-propan-2-ylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide?
The InChIKey is DAWCMMFBTZYDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-14(2)28-19-10-9-17(12-18(19)25-15(3)23(28)30)22-26-21(31-27-22)13-24-20(29)11-16-7-5-4-6-8-16/h4-10,12,14H,11,13H2,1-3H3,(H,24,29).
What are the key properties of N-[[3-(3-methyl-2-oxo-1-propan-2-ylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide?
N-[[3-(3-methyl-2-oxo-1-propan-2-ylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide has a molecular weight of 417.47 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methyl-2-oxo-1-propan-2-ylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 53065210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).