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

C21H22N2O6 — CID 46227126

IUPACN-[3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCOc1ccc(-c2noc(NC(C)=O)c2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C21H22N2O6/c1-12(24)22-21-18(14-10-16(26-3)20(28-5)17(11-14)27-4)19(23-29-21)13-6-8-15(25-2)9-7-13/h6-11H,1-5H3,(H,22,24)
InChIKeyOCIZHIXDTUOFSC-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.00
Rot. Bonds7

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

N-[3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide (PubChem CID 46227126) has the molecular formula C21H22N2O6 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide
PubChem CID46227126
Molecular FormulaC21H22N2O6
Molecular Weight398.42 g/mol
Exact Mass398.15
IUPAC NameN-[3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCOc1ccc(-c2noc(NC(C)=O)c2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C21H22N2O6/c1-12(24)22-21-18(14-10-16(26-3)20(28-5)17(11-14)27-4)19(23-29-21)13-6-8-15(25-2)9-7-13/h6-11H,1-5H3,(H,22,24)
InChIKeyOCIZHIXDTUOFSC-UHFFFAOYSA-N
XLogP4.00
TPSA92.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-[3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide (CID 46227126) is N-[3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)-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)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide?
The InChIKey is OCIZHIXDTUOFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O6/c1-12(24)22-21-18(14-10-16(26-3)20(28-5)17(11-14)27-4)19(23-29-21)13-6-8-15(25-2)9-7-13/h6-11H,1-5H3,(H,22,24).
What are the key properties of N-[3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide?
N-[3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide has a molecular weight of 398.42 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 46227126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).