N-[(4-cyanophenyl)methoxy]-2-[2-(3-propyl-2,5-dihydro-1,2-oxazol-5-yl)ethylamino]benzamide

C23H26N4O3 — CID 91317046

IUPACN-[(4-cyanophenyl)methoxy]-2-[2-(3-propyl-2,5-dihydro-1,2-oxazol-5-yl)ethylamino]benzamide
SMILESCCCC1=CC(CCNc2ccccc2C(=O)NOCc2ccc(C#N)cc2)ON1
InChIInChI=1S/C23H26N4O3/c1-2-5-19-14-20(30-26-19)12-13-25-22-7-4-3-6-21(22)23(28)27-29-16-18-10-8-17(15-24)9-11-18/h3-4,6-11,14,20,25-26H,2,5,12-13,16H2,1H3,(H,27,28)
InChIKeyPOCRHJWTTIAUAA-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.81
Rot. Bonds10

About N-[(4-cyanophenyl)methoxy]-2-[2-(3-propyl-2,5-dihydro-1,2-oxazol-5-yl)ethylamino]benzamide

N-[(4-cyanophenyl)methoxy]-2-[2-(3-propyl-2,5-dihydro-1,2-oxazol-5-yl)ethylamino]benzamide (PubChem CID 91317046) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methoxy]-2-[2-(3-propyl-2,5-dihydro-1,2-oxazol-5-yl)ethylamino]benzamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methoxy]-2-[2-(3-propyl-2,5-dihydro-1,2-oxazol-5-yl)ethylamino]benzamide
PubChem CID91317046
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[(4-cyanophenyl)methoxy]-2-[2-(3-propyl-2,5-dihydro-1,2-oxazol-5-yl)ethylamino]benzamide
SMILESCCCC1=CC(CCNc2ccccc2C(=O)NOCc2ccc(C#N)cc2)ON1
InChIInChI=1S/C23H26N4O3/c1-2-5-19-14-20(30-26-19)12-13-25-22-7-4-3-6-21(22)23(28)27-29-16-18-10-8-17(15-24)9-11-18/h3-4,6-11,14,20,25-26H,2,5,12-13,16H2,1H3,(H,27,28)
InChIKeyPOCRHJWTTIAUAA-UHFFFAOYSA-N
XLogP3.81
TPSA95.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-cyanophenyl)methoxy]-2-[2-(3-ethyl-2,5-dihydro-1,2-oxazol-5-yl)ethylamino]benzamide
CID 91252913
N-[(4-cyanophenyl)methoxy]-2-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methylamino]benzamide
CID 91189928
N-[(3-butyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 91581577
N-[(4-cyanophenyl)methoxy]-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide
CID 58989898
N-[(4-pentoxyphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 58989953
N-[(4-methylphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 11244953
methyl 2-[2-(4-cyanophenoxy)ethylamino]benzoate
CID 55433295
2-(ethylamino)-N-(2-methylpropoxy)benzamide
CID 82723063
(4-cyanophenyl)methyl 2-[(R)-ethylsulfinyl]benzoate
CID 11916149
N-[[4-(1,1-difluoroethyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 143056719
methyl 2-fluoro-5-[[2-[(4-fluorophenyl)methoxycarbamoyl]anilino]methyl]benzoate
CID 58990052
methyl 2-fluoro-5-[[2-(phenylmethoxycarbamoyl)anilino]methyl]benzoate
CID 58989778

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methoxy]-2-[2-(3-propyl-2,5-dihydro-1,2-oxazol-5-yl)ethylamino]benzamide?
The IUPAC name of N-[(4-cyanophenyl)methoxy]-2-[2-(3-propyl-2,5-dihydro-1,2-oxazol-5-yl)ethylamino]benzamide (CID 91317046) is N-[(4-cyanophenyl)methoxy]-2-[2-(3-propyl-2,5-dihydro-1,2-oxazol-5-yl)ethylamino]benzamide.
What is the SMILES notation for N-[(4-cyanophenyl)methoxy]-2-[2-(3-propyl-2,5-dihydro-1,2-oxazol-5-yl)ethylamino]benzamide?
The canonical SMILES for N-[(4-cyanophenyl)methoxy]-2-[2-(3-propyl-2,5-dihydro-1,2-oxazol-5-yl)ethylamino]benzamide is CCCC1=CC(CCNc2ccccc2C(=O)NOCc2ccc(C#N)cc2)ON1.
What is the InChIKey of N-[(4-cyanophenyl)methoxy]-2-[2-(3-propyl-2,5-dihydro-1,2-oxazol-5-yl)ethylamino]benzamide?
The InChIKey is POCRHJWTTIAUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-2-5-19-14-20(30-26-19)12-13-25-22-7-4-3-6-21(22)23(28)27-29-16-18-10-8-17(15-24)9-11-18/h3-4,6-11,14,20,25-26H,2,5,12-13,16H2,1H3,(H,27,28).
What are the key properties of N-[(4-cyanophenyl)methoxy]-2-[2-(3-propyl-2,5-dihydro-1,2-oxazol-5-yl)ethylamino]benzamide?
N-[(4-cyanophenyl)methoxy]-2-[2-(3-propyl-2,5-dihydro-1,2-oxazol-5-yl)ethylamino]benzamide has a molecular weight of 406.49 g/mol, XLogP of 3.81, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methoxy]-2-[2-(3-propyl-2,5-dihydro-1,2-oxazol-5-yl)ethylamino]benzamide is sourced from PubChem (CID 91317046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).