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

C23H24N2O7 — CID 46227190

IUPACN-acetyl-N-[4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCOc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)noc2N(C(C)=O)C(C)=O)cc1
InChIInChI=1S/C23H24N2O7/c1-13(26)25(14(2)27)23-20(15-7-9-17(28-3)10-8-15)21(24-32-23)16-11-18(29-4)22(31-6)19(12-16)30-5/h7-12H,1-6H3
InChIKeyRGVZNYHKESGKFA-UHFFFAOYSA-N
MW440.45 g/mol
LogP3.94
Rot. Bonds7

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

N-acetyl-N-[4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide (PubChem CID 46227190) has the molecular formula C23H24N2O7 and a molecular weight of 440.45 g/mol. Its IUPAC name is N-acetyl-N-[4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide
PubChem CID46227190
Molecular FormulaC23H24N2O7
Molecular Weight440.45 g/mol
Exact Mass440.16
IUPAC NameN-acetyl-N-[4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCOc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)noc2N(C(C)=O)C(C)=O)cc1
InChIInChI=1S/C23H24N2O7/c1-13(26)25(14(2)27)23-20(15-7-9-17(28-3)10-8-15)21(24-32-23)16-11-18(29-4)22(31-6)19(12-16)30-5/h7-12H,1-6H3
InChIKeyRGVZNYHKESGKFA-UHFFFAOYSA-N
XLogP3.94
TPSA100.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-acetyl-N-[4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide (CID 46227190) is N-acetyl-N-[4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-acetyl-N-[4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-acetyl-N-[4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide is COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)noc2N(C(C)=O)C(C)=O)cc1.
What is the InChIKey of N-acetyl-N-[4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide?
The InChIKey is RGVZNYHKESGKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O7/c1-13(26)25(14(2)27)23-20(15-7-9-17(28-3)10-8-15)21(24-32-23)16-11-18(29-4)22(31-6)19(12-16)30-5/h7-12H,1-6H3.
What are the key properties of N-acetyl-N-[4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide?
N-acetyl-N-[4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide has a molecular weight of 440.45 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 46227190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).