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

C22H29N3O4 — CID 20791351

IUPACN-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]cyclohexanecarboxamide
SMILESCC(C)C[C@H](NC(=O)C1CCCCC1)C(=O)Cn1c(-c2ccccc2)noc1=O
InChIInChI=1S/C22H29N3O4/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/h3,5-6,9-10,15,17-18H,4,7-8,11-14H2,1-2H3,(H,23,27)/t18-/m0/s1
InChIKeyXHVZWMYQOZBVET-SFHVURJKSA-N
MW399.49 g/mol
LogP3.18
Rot. Bonds8

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

N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]cyclohexanecarboxamide (PubChem CID 20791351) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 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]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]cyclohexanecarboxamide
PubChem CID20791351
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC NameN-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]cyclohexanecarboxamide
SMILESCC(C)C[C@H](NC(=O)C1CCCCC1)C(=O)Cn1c(-c2ccccc2)noc1=O
InChIInChI=1S/C22H29N3O4/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/h3,5-6,9-10,15,17-18H,4,7-8,11-14H2,1-2H3,(H,23,27)/t18-/m0/s1
InChIKeyXHVZWMYQOZBVET-SFHVURJKSA-N
XLogP3.18
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]benzamide
CID 20791350
N-[(1R,2S)-2-[[(3S)-1-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]-5-methyl-2-oxohexan-3-yl]carbamoyl]cyclohexyl]benzamide;molecular hydrogen
CID 162096295
N-[(3R)-5-methyl-2-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]cyclohexanecarboxamide
CID 10110590
benzyl N-[(2S)-4-methyl-1-[[(3S)-5-methyl-2-oxo-1-[5-oxo-3-(3-phenylmethoxyphenyl)-1,2,4-oxadiazol-4-yl]hexan-3-yl]amino]-1-oxopentan-2-yl]carbamate
CID 20791297
N-[(3S)-5-methyl-2-oxo-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-yl]cyclohexanecarboxamide
CID 10293431
N-[5-methyl-2-oxo-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-yl]cyclohexanecarboxamide
CID 22237923
N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)hexan-3-yl]-3-phenylprop-2-enamide
CID 91364251
N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]cyclohexanecarboxamide
CID 22422546
(2S)-2-(cycloheptanecarbonylamino)-4-methylpentanoic acid
CID 22872515
2-(cyclooctanecarbonylamino)-4-methylpentanoic acid
CID 65018915
N-[4-methyl-1-[4-(1-methylpiperidin-4-yl)-5-oxo-1,2,4-oxadiazol-3-yl]-1-oxopentan-2-yl]cyclohexanecarboxamide
CID 10158267
[4-[(dimethylamino)methyl]phenyl]methyl N-[(2S)-1-[[(3S)-1-[3-(3-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]-5-methyl-2-oxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 90991483

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]cyclohexanecarboxamide?
The IUPAC name of N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]cyclohexanecarboxamide (CID 20791351) is N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]cyclohexanecarboxamide.
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]cyclohexanecarboxamide?
The canonical SMILES for N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]cyclohexanecarboxamide 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]cyclohexanecarboxamide?
The InChIKey is XHVZWMYQOZBVET-SFHVURJKSA-N. The full InChI is InChI=1S/C22H29N3O4/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/h3,5-6,9-10,15,17-18H,4,7-8,11-14H2,1-2H3,(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]cyclohexanecarboxamide?
N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]cyclohexanecarboxamide has a molecular weight of 399.49 g/mol, XLogP of 3.18, 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]cyclohexanecarboxamide is sourced from PubChem (CID 20791351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).