4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-heptan-2-ylbenzamide

C20H28N2O3 — CID 42988184

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-heptan-2-ylbenzamide
SMILESCCCCCC(C)NC(=O)c1ccc(OCc2c(C)noc2C)cc1
InChIInChI=1S/C20H28N2O3/c1-5-6-7-8-14(2)21-20(23)17-9-11-18(12-10-17)24-13-19-15(3)22-25-16(19)4/h9-12,14H,5-8,13H2,1-4H3,(H,21,23)
InChIKeyXWOPENWOGLQULR-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.57
Rot. Bonds9

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-heptan-2-ylbenzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-heptan-2-ylbenzamide (PubChem CID 42988184) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-heptan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-heptan-2-ylbenzamide
PubChem CID42988184
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-heptan-2-ylbenzamide
SMILESCCCCCC(C)NC(=O)c1ccc(OCc2c(C)noc2C)cc1
InChIInChI=1S/C20H28N2O3/c1-5-6-7-8-14(2)21-20(23)17-9-11-18(12-10-17)24-13-19-15(3)22-25-16(19)4/h9-12,14H,5-8,13H2,1-4H3,(H,21,23)
InChIKeyXWOPENWOGLQULR-UHFFFAOYSA-N
XLogP4.57
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.57
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

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 9292301
N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 78773318
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-phenylbutyl)benzamide
CID 46533721
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-pentylacetamide
CID 26532652
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111448110
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-propan-2-ylphenyl)benzamide
CID 2466288
N-(2-butan-2-ylpyrazol-3-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 78778466
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-prop-2-enylbenzamide
CID 7971440
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-6-methylheptan-2-yl]benzamide
CID 29363899
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-6-methylheptan-2-yl]benzamide
CID 29363896
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
CID 55887040

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-heptan-2-ylbenzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-heptan-2-ylbenzamide (CID 42988184) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-heptan-2-ylbenzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-heptan-2-ylbenzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-heptan-2-ylbenzamide is CCCCCC(C)NC(=O)c1ccc(OCc2c(C)noc2C)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-heptan-2-ylbenzamide?
The InChIKey is XWOPENWOGLQULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-5-6-7-8-14(2)21-20(23)17-9-11-18(12-10-17)24-13-19-15(3)22-25-16(19)4/h9-12,14H,5-8,13H2,1-4H3,(H,21,23).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-heptan-2-ylbenzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-heptan-2-ylbenzamide has a molecular weight of 344.46 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-heptan-2-ylbenzamide is sourced from PubChem (CID 42988184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).