N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,5-dimethoxybenzamide

C22H18N2O4 — CID 16848752

IUPACN-[3-(1,3-benzoxazol-2-yl)phenyl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c1
InChIInChI=1S/C22H18N2O4/c1-26-16-10-11-19(27-2)17(13-16)21(25)23-15-7-5-6-14(12-15)22-24-18-8-3-4-9-20(18)28-22/h3-13H,1-2H3,(H,23,25)
InChIKeyVBFMUHMHSJOONN-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.76
Rot. Bonds5

About N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,5-dimethoxybenzamide

N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,5-dimethoxybenzamide (PubChem CID 16848752) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-2,5-dimethoxybenzamide
PubChem CID16848752
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c1
InChIInChI=1S/C22H18N2O4/c1-26-16-10-11-19(27-2)17(13-16)21(25)23-15-7-5-6-14(12-15)22-24-18-8-3-4-9-20(18)28-22/h3-13H,1-2H3,(H,23,25)
InChIKeyVBFMUHMHSJOONN-UHFFFAOYSA-N
XLogP4.76
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 4201345
2-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 3309852
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17092589
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 953822
5-bromo-2-methoxy-N-[[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
CID 5037584
N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,6-dimethoxybenzamide
CID 22779861
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-chlorobenzamide
CID 3968196
5-bromo-N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 23989159
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 4665629
2-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 2996600
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide
CID 3161340
3,4-dimethoxy-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 1114227

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,5-dimethoxybenzamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,5-dimethoxybenzamide (CID 16848752) is N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,5-dimethoxybenzamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,5-dimethoxybenzamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,5-dimethoxybenzamide?
The InChIKey is VBFMUHMHSJOONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-26-16-10-11-19(27-2)17(13-16)21(25)23-15-7-5-6-14(12-15)22-24-18-8-3-4-9-20(18)28-22/h3-13H,1-2H3,(H,23,25).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,5-dimethoxybenzamide?
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,5-dimethoxybenzamide has a molecular weight of 374.40 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,5-dimethoxybenzamide is sourced from PubChem (CID 16848752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).