3,4-dimethoxy-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

C23H20N2O4 — CID 1114227

IUPAC3,4-dimethoxy-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)cc1OC
InChIInChI=1S/C23H20N2O4/c1-14-7-9-18-20(11-14)29-23(25-18)16-5-4-6-17(12-16)24-22(26)15-8-10-19(27-2)21(13-15)28-3/h4-13H,1-3H3,(H,24,26)
InChIKeyCDOYGXNRHIHRLE-UHFFFAOYSA-N
MW388.42 g/mol
LogP5.07
Rot. Bonds5

About 3,4-dimethoxy-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

3,4-dimethoxy-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide (PubChem CID 1114227) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
PubChem CID1114227
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name3,4-dimethoxy-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)cc1OC
InChIInChI=1S/C23H20N2O4/c1-14-7-9-18-20(11-14)29-23(25-18)16-5-4-6-17(12-16)24-22(26)15-8-10-19(27-2)21(13-15)28-3/h4-13H,1-3H3,(H,24,26)
InChIKeyCDOYGXNRHIHRLE-UHFFFAOYSA-N
XLogP5.07
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.42
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide
CID 3125064
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 3912982
3,4-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 46266966
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dimethoxybenzamide
CID 1114221
N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-6-yl]carbamothioyl]-4-methylbenzamide
CID 73254672
N-[4-[5-[(3,4-dimethoxybenzoyl)amino]-1,3-benzoxazol-2-yl]phenyl]-3,4-dimethoxybenzamide
CID 53356241
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 869599
2-chloro-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 16740413
4-bromo-3-methoxy-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 17116920
4-fluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 696909
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,5-dimethoxybenzamide
CID 16848752
N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4-dimethoxybenzamide
CID 1138940

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide (CID 1114227) is 3,4-dimethoxy-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The InChIKey is CDOYGXNRHIHRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-14-7-9-18-20(11-14)29-23(25-18)16-5-4-6-17(12-16)24-22(26)15-8-10-19(27-2)21(13-15)28-3/h4-13H,1-3H3,(H,24,26).
What are the key properties of 3,4-dimethoxy-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
3,4-dimethoxy-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide has a molecular weight of 388.42 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 1114227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).