N-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide

C21H22N2O3 — CID 31813310

IUPACN-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCOCCCNC(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1
InChIInChI=1S/C21H22N2O3/c1-15-8-10-16(11-9-15)19-14-23-21(26-19)18-7-4-3-6-17(18)20(24)22-12-5-13-25-2/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,22,24)
InChIKeyQCMGPUGDHKHNFS-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.08
Rot. Bonds7

About N-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide

N-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 31813310) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
PubChem CID31813310
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCOCCCNC(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1
InChIInChI=1S/C21H22N2O3/c1-15-8-10-16(11-9-15)19-14-23-21(26-19)18-7-4-3-6-17(18)20(24)22-12-5-13-25-2/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,22,24)
InChIKeyQCMGPUGDHKHNFS-UHFFFAOYSA-N
XLogP4.08
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 134049112
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide
CID 100513748
2-(5-phenyl-1,3-oxazol-2-yl)-N-propylbenzamide
CID 24654497
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)benzamide
CID 36656774
2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447193
N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 30702962
[2-(butylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 8510393
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 60604982
N'-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]-1H-pyrrole-2-carbohydrazide
CID 78818005
N-(3-butoxypropyl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 36807682
methyl 4-[[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]butanoate
CID 36654951
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide
CID 100510051

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide (CID 31813310) is N-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide is COCCCNC(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1.
What is the InChIKey of N-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide?
The InChIKey is QCMGPUGDHKHNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15-8-10-16(11-9-15)19-14-23-21(26-19)18-7-4-3-6-17(18)20(24)22-12-5-13-25-2/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide?
N-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 31813310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).