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

C20H20N4O3 — CID 91189928

IUPACN-[(4-cyanophenyl)methoxy]-2-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methylamino]benzamide
SMILESCC1=CC(CNc2ccccc2C(=O)NOCc2ccc(C#N)cc2)ON1
InChIInChI=1S/C20H20N4O3/c1-14-10-17(27-23-14)12-22-19-5-3-2-4-18(19)20(25)24-26-13-16-8-6-15(11-21)7-9-16/h2-10,17,22-23H,12-13H2,1H3,(H,24,25)
InChIKeyGFGBLJFRKLMOBK-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.64
Rot. Bonds7

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

N-[(4-cyanophenyl)methoxy]-2-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methylamino]benzamide (PubChem CID 91189928) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methoxy]-2-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methoxy]-2-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methylamino]benzamide
PubChem CID91189928
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[(4-cyanophenyl)methoxy]-2-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methylamino]benzamide
SMILESCC1=CC(CNc2ccccc2C(=O)NOCc2ccc(C#N)cc2)ON1
InChIInChI=1S/C20H20N4O3/c1-14-10-17(27-23-14)12-22-19-5-3-2-4-18(19)20(25)24-26-13-16-8-6-15(11-21)7-9-16/h2-10,17,22-23H,12-13H2,1H3,(H,24,25)
InChIKeyGFGBLJFRKLMOBK-UHFFFAOYSA-N
XLogP2.64
TPSA95.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.64
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-[2-(3-propyl-2,5-dihydro-1,2-oxazol-5-yl)ethylamino]benzamide
CID 91317046
N-[(4-cyanophenyl)methoxy]-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide
CID 58989898
N-[(4-methylphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 11244953
N-[[4-(1,1-difluoroethyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 143056719
methyl 2-fluoro-5-[[2-(phenylmethoxycarbamoyl)anilino]methyl]benzoate
CID 58989778
N-phenylmethoxy-2-(pyridin-3-ylmethylamino)benzamide
CID 87281732
N-[(4-pentoxyphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 58989953
N-(cyclopentylmethoxy)-2-(oxan-4-ylmethylamino)benzamide
CID 11438981
5-[(4-cyanophenoxy)methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 86886561
N-[(2-bromophenyl)methoxy]-2-[(3-cyano-4-fluorophenyl)methylamino]benzamide
CID 58989947
(4-cyanophenyl)methyl 2-[(R)-ethylsulfinyl]benzoate
CID 11916149

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methoxy]-2-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methylamino]benzamide?
The IUPAC name of N-[(4-cyanophenyl)methoxy]-2-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methylamino]benzamide (CID 91189928) is N-[(4-cyanophenyl)methoxy]-2-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methylamino]benzamide.
What is the SMILES notation for N-[(4-cyanophenyl)methoxy]-2-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methylamino]benzamide?
The canonical SMILES for N-[(4-cyanophenyl)methoxy]-2-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methylamino]benzamide is CC1=CC(CNc2ccccc2C(=O)NOCc2ccc(C#N)cc2)ON1.
What is the InChIKey of N-[(4-cyanophenyl)methoxy]-2-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methylamino]benzamide?
The InChIKey is GFGBLJFRKLMOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-14-10-17(27-23-14)12-22-19-5-3-2-4-18(19)20(25)24-26-13-16-8-6-15(11-21)7-9-16/h2-10,17,22-23H,12-13H2,1H3,(H,24,25).
What are the key properties of N-[(4-cyanophenyl)methoxy]-2-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methylamino]benzamide?
N-[(4-cyanophenyl)methoxy]-2-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methylamino]benzamide has a molecular weight of 364.41 g/mol, XLogP of 2.64, 7 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-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methylamino]benzamide is sourced from PubChem (CID 91189928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).