N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]benzamide

C22H23N3O4 — CID 20791350

IUPACN-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]benzamide
SMILESCC(C)C[C@H](NC(=O)c1ccccc1)C(=O)Cn1c(-c2ccccc2)noc1=O
InChIInChI=1S/C22H23N3O4/c1-15(2)13-18(23-21(27)17-11-7-4-8-12-17)19(26)14-25-20(24-29-22(25)28)16-9-5-3-6-10-16/h3-12,15,18H,13-14H2,1-2H3,(H,23,27)/t18-/m0/s1
InChIKeyOOXDQBFLSNSMBD-SFHVURJKSA-N
MW393.44 g/mol
LogP2.92
Rot. Bonds8

About N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]benzamide

N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]benzamide (PubChem CID 20791350) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]benzamide
PubChem CID20791350
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]benzamide
SMILESCC(C)C[C@H](NC(=O)c1ccccc1)C(=O)Cn1c(-c2ccccc2)noc1=O
InChIInChI=1S/C22H23N3O4/c1-15(2)13-18(23-21(27)17-11-7-4-8-12-17)19(26)14-25-20(24-29-22(25)28)16-9-5-3-6-10-16/h3-12,15,18H,13-14H2,1-2H3,(H,23,27)/t18-/m0/s1
InChIKeyOOXDQBFLSNSMBD-SFHVURJKSA-N
XLogP2.92
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]benzamide?
The IUPAC name of N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]benzamide (CID 20791350) is N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]benzamide.
What is the SMILES notation for N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]benzamide?
The canonical SMILES for N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]benzamide is CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)Cn1c(-c2ccccc2)noc1=O.
What is the InChIKey of N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]benzamide?
The InChIKey is OOXDQBFLSNSMBD-SFHVURJKSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-15(2)13-18(23-21(27)17-11-7-4-8-12-17)19(26)14-25-20(24-29-22(25)28)16-9-5-3-6-10-16/h3-12,15,18H,13-14H2,1-2H3,(H,23,27)/t18-/m0/s1.
What are the key properties of N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]benzamide?
N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]benzamide has a molecular weight of 393.44 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]benzamide is sourced from PubChem (CID 20791350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).