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

C23H26N2O7 — CID 2440377

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)ccc1OCc1c(C)noc1C
InChIInChI=1S/C23H26N2O7/c1-13-17(14(2)32-25-13)12-31-18-8-7-15(9-19(18)27-3)23(26)24-16-10-20(28-4)22(30-6)21(11-16)29-5/h7-11H,12H2,1-6H3,(H,24,26)
InChIKeyPADBLJTVQFDPQW-UHFFFAOYSA-N
MW442.47 g/mol
LogP4.16
Rot. Bonds9

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

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide (PubChem CID 2440377) has the molecular formula C23H26N2O7 and a molecular weight of 442.47 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
PubChem CID2440377
Molecular FormulaC23H26N2O7
Molecular Weight442.47 g/mol
Exact Mass442.17
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)ccc1OCc1c(C)noc1C
InChIInChI=1S/C23H26N2O7/c1-13-17(14(2)32-25-13)12-31-18-8-7-15(9-19(18)27-3)23(26)24-16-10-20(28-4)22(30-6)21(11-16)29-5/h7-11H,12H2,1-6H3,(H,24,26)
InChIKeyPADBLJTVQFDPQW-UHFFFAOYSA-N
XLogP4.16
TPSA101.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,4-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093725
N-(2-acetylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 2466270
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,3-dimethylphenyl)benzamide
CID 2572928
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide
CID 2534940
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide
CID 25163346
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-phenylbenzamide
CID 2574590
N-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)isoxazole-3-carboxamide
CID 17252844
3,4,5-Trimethoxy-N-[4-(5-methyl-isoxazol-3-ylsulfamoyl)-phenyl]-benzamide
CID 645962
3,4,5-triethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 670757
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide
CID 2598908
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,4-dimethylphenyl)benzamide
CID 2998641
N-[2-(3,4-diethoxyphenyl)ethyl]-4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]butanamide
CID 16009106

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide (CID 2440377) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide is COc1cc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)ccc1OCc1c(C)noc1C.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide?
The InChIKey is PADBLJTVQFDPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O7/c1-13-17(14(2)32-25-13)12-31-18-8-7-15(9-19(18)27-3)23(26)24-16-10-20(28-4)22(30-6)21(11-16)29-5/h7-11H,12H2,1-6H3,(H,24,26).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide has a molecular weight of 442.47 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide is sourced from PubChem (CID 2440377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).