N-(2-benzyl-1,3-benzoxazol-5-yl)-3,5-dichloro-2-methoxybenzamide

C22H16Cl2N2O3 — CID 17163170

IUPACN-(2-benzyl-1,3-benzoxazol-5-yl)-3,5-dichloro-2-methoxybenzamide
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(Cc3ccccc3)nc2c1
InChIInChI=1S/C22H16Cl2N2O3/c1-28-21-16(10-14(23)11-17(21)24)22(27)25-15-7-8-19-18(12-15)26-20(29-19)9-13-5-3-2-4-6-13/h2-8,10-12H,9H2,1H3,(H,25,27)
InChIKeyBAGUFIHBIUTPJC-UHFFFAOYSA-N
MW427.29 g/mol
LogP5.99
Rot. Bonds5

About N-(2-benzyl-1,3-benzoxazol-5-yl)-3,5-dichloro-2-methoxybenzamide

N-(2-benzyl-1,3-benzoxazol-5-yl)-3,5-dichloro-2-methoxybenzamide (PubChem CID 17163170) has the molecular formula C22H16Cl2N2O3 and a molecular weight of 427.29 g/mol. Its IUPAC name is N-(2-benzyl-1,3-benzoxazol-5-yl)-3,5-dichloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2-benzyl-1,3-benzoxazol-5-yl)-3,5-dichloro-2-methoxybenzamide
PubChem CID17163170
Molecular FormulaC22H16Cl2N2O3
Molecular Weight427.29 g/mol
Exact Mass426.05
IUPAC NameN-(2-benzyl-1,3-benzoxazol-5-yl)-3,5-dichloro-2-methoxybenzamide
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(Cc3ccccc3)nc2c1
InChIInChI=1S/C22H16Cl2N2O3/c1-28-21-16(10-14(23)11-17(21)24)22(27)25-15-7-8-19-18(12-15)26-20(29-19)9-13-5-3-2-4-6-13/h2-8,10-12H,9H2,1H3,(H,25,27)
InChIKeyBAGUFIHBIUTPJC-UHFFFAOYSA-N
XLogP5.99
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.29
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-2-methoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 4258037
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methoxy-3-methylbenzamide
CID 17163167
3,5-dichloro-2-methoxy-N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17117163
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,5-dichloro-2-methoxybenzamide
CID 17117177
N-(2-benzyl-1,3-benzoxazol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide
CID 17163223
3,5-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 17128466
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-chloro-4-nitrobenzamide
CID 17163184
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylacetamide
CID 3013306
3,5-dichloro-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 17110594
(2S)-N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 41370930
N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-3,5-dichloro-2-methoxybenzamide
CID 43913529
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methyl-2-phenoxypropanamide
CID 30308165

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-1,3-benzoxazol-5-yl)-3,5-dichloro-2-methoxybenzamide?
The IUPAC name of N-(2-benzyl-1,3-benzoxazol-5-yl)-3,5-dichloro-2-methoxybenzamide (CID 17163170) is N-(2-benzyl-1,3-benzoxazol-5-yl)-3,5-dichloro-2-methoxybenzamide.
What is the SMILES notation for N-(2-benzyl-1,3-benzoxazol-5-yl)-3,5-dichloro-2-methoxybenzamide?
The canonical SMILES for N-(2-benzyl-1,3-benzoxazol-5-yl)-3,5-dichloro-2-methoxybenzamide is COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(Cc3ccccc3)nc2c1.
What is the InChIKey of N-(2-benzyl-1,3-benzoxazol-5-yl)-3,5-dichloro-2-methoxybenzamide?
The InChIKey is BAGUFIHBIUTPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O3/c1-28-21-16(10-14(23)11-17(21)24)22(27)25-15-7-8-19-18(12-15)26-20(29-19)9-13-5-3-2-4-6-13/h2-8,10-12H,9H2,1H3,(H,25,27).
What are the key properties of N-(2-benzyl-1,3-benzoxazol-5-yl)-3,5-dichloro-2-methoxybenzamide?
N-(2-benzyl-1,3-benzoxazol-5-yl)-3,5-dichloro-2-methoxybenzamide has a molecular weight of 427.29 g/mol, XLogP of 5.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-1,3-benzoxazol-5-yl)-3,5-dichloro-2-methoxybenzamide is sourced from PubChem (CID 17163170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).