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

C21H19N3O3 — CID 86832339

IUPAC3-[(2-cyanophenyl)methoxy]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)oc1C
InChIInChI=1S/C21H19N3O3/c1-14-15(2)27-20(24-14)12-23-21(25)16-8-5-9-19(10-16)26-13-18-7-4-3-6-17(18)11-22/h3-10H,12-13H2,1-2H3,(H,23,25)
InChIKeyKSDHZBWUKZPVBM-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.67
Rot. Bonds6

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

3-[(2-cyanophenyl)methoxy]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide (PubChem CID 86832339) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-[(2-cyanophenyl)methoxy]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(2-cyanophenyl)methoxy]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
PubChem CID86832339
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name3-[(2-cyanophenyl)methoxy]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)oc1C
InChIInChI=1S/C21H19N3O3/c1-14-15(2)27-20(24-14)12-23-21(25)16-8-5-9-19(10-16)26-13-18-7-4-3-6-17(18)11-22/h3-10H,12-13H2,1-2H3,(H,23,25)
InChIKeyKSDHZBWUKZPVBM-UHFFFAOYSA-N
XLogP3.67
TPSA88.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-cyanophenyl)methoxy]-N-prop-2-ynylbenzamide
CID 47070755
3-[(2-cyanophenyl)methoxy]-N-(4-methylphenyl)benzamide
CID 52738677
3-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 47344966
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-sulfanylbenzamide
CID 106377771
3-carbamothioyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106372305
3-[(2-cyanophenyl)methoxy]-N-[3-(4-hydroxyphenyl)propyl]benzamide
CID 86972910
3-[(2-cyanophenyl)methoxy]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 60571650
3-[(2-chlorophenyl)methoxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 100750231
N-(2-chlorophenyl)-3-[(2-cyanophenyl)methoxy]benzamide
CID 52738882
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 87043417
3-[(2-cyanophenyl)methoxy]-N-(4-methylsulfanylphenyl)benzamide
CID 60572425
N-(2-hydroxypropyl)-3-[(2-methylphenyl)methoxy]benzamide
CID 111432837

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyanophenyl)methoxy]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide?
The IUPAC name of 3-[(2-cyanophenyl)methoxy]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide (CID 86832339) is 3-[(2-cyanophenyl)methoxy]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-[(2-cyanophenyl)methoxy]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-[(2-cyanophenyl)methoxy]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide is Cc1nc(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)oc1C.
What is the InChIKey of 3-[(2-cyanophenyl)methoxy]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide?
The InChIKey is KSDHZBWUKZPVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-14-15(2)27-20(24-14)12-23-21(25)16-8-5-9-19(10-16)26-13-18-7-4-3-6-17(18)11-22/h3-10H,12-13H2,1-2H3,(H,23,25).
What are the key properties of 3-[(2-cyanophenyl)methoxy]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide?
3-[(2-cyanophenyl)methoxy]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide has a molecular weight of 361.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyanophenyl)methoxy]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide is sourced from PubChem (CID 86832339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).