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

C28H28N2O7 — CID 46227183

IUPACN-[3-(4-methoxy-3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCOc1ccc(-c2noc(NC(C)=O)c2-c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1
InChIInChI=1S/C28H28N2O7/c1-17(31)29-28-25(20-14-23(33-3)27(35-5)24(15-20)34-4)26(30-37-28)19-11-12-21(32-2)22(13-19)36-16-18-9-7-6-8-10-18/h6-15H,16H2,1-5H3,(H,29,31)
InChIKeyNMYRUDHABHWJJQ-UHFFFAOYSA-N
MW504.54 g/mol
LogP5.58
Rot. Bonds10

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

N-[3-(4-methoxy-3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide (PubChem CID 46227183) has the molecular formula C28H28N2O7 and a molecular weight of 504.54 g/mol. Its IUPAC name is N-[3-(4-methoxy-3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-methoxy-3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide
PubChem CID46227183
Molecular FormulaC28H28N2O7
Molecular Weight504.54 g/mol
Exact Mass504.19
IUPAC NameN-[3-(4-methoxy-3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCOc1ccc(-c2noc(NC(C)=O)c2-c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1
InChIInChI=1S/C28H28N2O7/c1-17(31)29-28-25(20-14-23(33-3)27(35-5)24(15-20)34-4)26(30-37-28)19-11-12-21(32-2)22(13-19)36-16-18-9-7-6-8-10-18/h6-15H,16H2,1-5H3,(H,29,31)
InChIKeyNMYRUDHABHWJJQ-UHFFFAOYSA-N
XLogP5.58
TPSA101.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.54
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-(4-methoxy-3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide with MolForge

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Related Compounds

N-[4-(4-methoxyphenyl)-3-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-yl]acetamide
CID 141355277
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402081
5-(4-methoxy-3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene-2-carboxylic acid
CID 127038043
1-[4-(3-methoxy-4-phenylmethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone
CID 141435693
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
[3-(4-methoxy-3-phenylmethoxyphenyl)oxiran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 11442314
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
(4-methoxy-3-phenylmethoxyphenyl)carbamic acid
CID 155170089
2-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]acetic acid
CID 22930517
3,4,5-trimethoxy-N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 42991313
N-[4-(2-carbamoylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-yl]-3,4,5-trimethoxybenzamide
CID 175242349

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxy-3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-[3-(4-methoxy-3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide (CID 46227183) is N-[3-(4-methoxy-3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-[3-(4-methoxy-3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-[3-(4-methoxy-3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide is COc1ccc(-c2noc(NC(C)=O)c2-c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1.
What is the InChIKey of N-[3-(4-methoxy-3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide?
The InChIKey is NMYRUDHABHWJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O7/c1-17(31)29-28-25(20-14-23(33-3)27(35-5)24(15-20)34-4)26(30-37-28)19-11-12-21(32-2)22(13-19)36-16-18-9-7-6-8-10-18/h6-15H,16H2,1-5H3,(H,29,31).
What are the key properties of N-[3-(4-methoxy-3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide?
N-[3-(4-methoxy-3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide has a molecular weight of 504.54 g/mol, XLogP of 5.58, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxy-3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 46227183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).