N-[2-(cyclohexen-1-yl)ethyl]-2-[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetamide

C22H26N2O3 — CID 51696429

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetamide
SMILESC[C@H]1Cc2cc(-c3cc(CC(=O)NCCC4=CCCCC4)no3)ccc2O1
InChIInChI=1S/C22H26N2O3/c1-15-11-18-12-17(7-8-20(18)26-15)21-13-19(24-27-21)14-22(25)23-10-9-16-5-3-2-4-6-16/h5,7-8,12-13,15H,2-4,6,9-11,14H2,1H3,(H,23,25)/t15-/m0/s1
InChIKeyBSFCKZCLOHNUGE-HNNXBMFYSA-N
MW366.46 g/mol
LogP4.21
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetamide (PubChem CID 51696429) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetamide
PubChem CID51696429
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetamide
SMILESC[C@H]1Cc2cc(-c3cc(CC(=O)NCCC4=CCCCC4)no3)ccc2O1
InChIInChI=1S/C22H26N2O3/c1-15-11-18-12-17(7-8-20(18)26-15)21-13-19(24-27-21)14-22(25)23-10-9-16-5-3-2-4-6-16/h5,7-8,12-13,15H,2-4,6,9-11,14H2,1H3,(H,23,25)/t15-/m0/s1
InChIKeyBSFCKZCLOHNUGE-HNNXBMFYSA-N
XLogP4.21
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 51696436
2-[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 93477821
2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetonitrile
CID 51862538
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide
CID 92682179
N-[2-(cyclohexen-1-yl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108943052
2-(cyclohexen-1-yl)-N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 42538480
N-[2-(cyclohexen-1-yl)ethyl]-2-naphthalen-2-ylacetamide
CID 27666304
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108942886
N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762171
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
N-[2-(cyclohexen-1-yl)ethyl]-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110849144
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methylbutyl)acetamide
CID 16878594

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetamide (CID 51696429) is N-[2-(cyclohexen-1-yl)ethyl]-2-[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetamide is C[C@H]1Cc2cc(-c3cc(CC(=O)NCCC4=CCCCC4)no3)ccc2O1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetamide?
The InChIKey is BSFCKZCLOHNUGE-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15-11-18-12-17(7-8-20(18)26-15)21-13-19(24-27-21)14-22(25)23-10-9-16-5-3-2-4-6-16/h5,7-8,12-13,15H,2-4,6,9-11,14H2,1H3,(H,23,25)/t15-/m0/s1.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 366.46 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 51696429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).