N-[2-(cyclohexen-1-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

C21H26N2O3 — CID 25163593

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C21H26N2O3/c1-15-20(16(2)26-23-15)14-25-19-10-8-18(9-11-19)21(24)22-13-12-17-6-4-3-5-7-17/h6,8-11H,3-5,7,12-14H2,1-2H3,(H,22,24)
InChIKeyBRQUIXNISGBFNE-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.49
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

N-[2-(cyclohexen-1-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (PubChem CID 25163593) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
PubChem CID25163593
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C21H26N2O3/c1-15-20(16(2)26-23-15)14-25-19-10-8-18(9-11-19)21(24)22-13-12-17-6-4-3-5-7-17/h6,8-11H,3-5,7,12-14H2,1-2H3,(H,22,24)
InChIKeyBRQUIXNISGBFNE-UHFFFAOYSA-N
XLogP4.49
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.49
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

N-[2-(cyclohexen-1-yl)ethyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916665
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
CID 7971440
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-piperidin-1-ylpropyl)benzamide
CID 31093025
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-ethoxyethoxy)benzamide
CID 17112611
N-[2-(cyclohexen-1-yl)ethyl]-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110849144
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 7535370
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 30177336
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 99951861
N'-(cyclopropanecarbonyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide
CID 34259031
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 27666318
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111448110
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2997793

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (CID 25163593) is N-[2-(cyclohexen-1-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is Cc1noc(C)c1COc1ccc(C(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The InChIKey is BRQUIXNISGBFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-20(16(2)26-23-15)14-25-19-10-8-18(9-11-19)21(24)22-13-12-17-6-4-3-5-7-17/h6,8-11H,3-5,7,12-14H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide has a molecular weight of 354.45 g/mol, XLogP of 4.49, 7 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]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 25163593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).