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

C18H15BrN2O5 — CID 135567373

IUPACN-[3-(5-bromo-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCOc1ccc(-c2c(-c3cc(Br)c(O)cc3O)noc2NC(C)=O)cc1
InChIInChI=1S/C18H15BrN2O5/c1-9(22)20-18-16(10-3-5-11(25-2)6-4-10)17(21-26-18)12-7-13(19)15(24)8-14(12)23/h3-8,23-24H,1-2H3,(H,20,22)
InChIKeyLPNPUVWHHAMBGR-UHFFFAOYSA-N
MW419.23 g/mol
LogP4.15
Rot. Bonds4

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

N-[3-(5-bromo-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide (PubChem CID 135567373) has the molecular formula C18H15BrN2O5 and a molecular weight of 419.23 g/mol. Its IUPAC name is N-[3-(5-bromo-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(5-bromo-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
PubChem CID135567373
Molecular FormulaC18H15BrN2O5
Molecular Weight419.23 g/mol
Exact Mass418.02
IUPAC NameN-[3-(5-bromo-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCOc1ccc(-c2c(-c3cc(Br)c(O)cc3O)noc2NC(C)=O)cc1
InChIInChI=1S/C18H15BrN2O5/c1-9(22)20-18-16(10-3-5-11(25-2)6-4-10)17(21-26-18)12-7-13(19)15(24)8-14(12)23/h3-8,23-24H,1-2H3,(H,20,22)
InChIKeyLPNPUVWHHAMBGR-UHFFFAOYSA-N
XLogP4.15
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.23
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-bromo-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-[3-(5-bromo-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide (CID 135567373) is N-[3-(5-bromo-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-[3-(5-bromo-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-[3-(5-bromo-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide is COc1ccc(-c2c(-c3cc(Br)c(O)cc3O)noc2NC(C)=O)cc1.
What is the InChIKey of N-[3-(5-bromo-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide?
The InChIKey is LPNPUVWHHAMBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O5/c1-9(22)20-18-16(10-3-5-11(25-2)6-4-10)17(21-26-18)12-7-13(19)15(24)8-14(12)23/h3-8,23-24H,1-2H3,(H,20,22).
What are the key properties of N-[3-(5-bromo-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide?
N-[3-(5-bromo-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide has a molecular weight of 419.23 g/mol, XLogP of 4.15, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-bromo-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 135567373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).