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

C24H20N2O4 — CID 57224621

IUPACN-[2-[2-(3-hydroxyphenyl)phenyl]-4-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetamide
SMILESCOc1cccc(-c2nc(-c3ccccc3-c3cccc(O)c3)oc2NC(C)=O)c1
InChIInChI=1S/C24H20N2O4/c1-15(27)25-24-22(17-8-6-10-19(14-17)29-2)26-23(30-24)21-12-4-3-11-20(21)16-7-5-9-18(28)13-16/h3-14,28H,1-2H3,(H,25,27)
InChIKeyAPTYQUNBNHOSRI-UHFFFAOYSA-N
MW400.43 g/mol
LogP5.35
Rot. Bonds5

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

N-[2-[2-(3-hydroxyphenyl)phenyl]-4-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetamide (PubChem CID 57224621) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is N-[2-[2-(3-hydroxyphenyl)phenyl]-4-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(3-hydroxyphenyl)phenyl]-4-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetamide
PubChem CID57224621
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC NameN-[2-[2-(3-hydroxyphenyl)phenyl]-4-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetamide
SMILESCOc1cccc(-c2nc(-c3ccccc3-c3cccc(O)c3)oc2NC(C)=O)c1
InChIInChI=1S/C24H20N2O4/c1-15(27)25-24-22(17-8-6-10-19(14-17)29-2)26-23(30-24)21-12-4-3-11-20(21)16-7-5-9-18(28)13-16/h3-14,28H,1-2H3,(H,25,27)
InChIKeyAPTYQUNBNHOSRI-UHFFFAOYSA-N
XLogP5.35
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]acetamide
CID 57197415
N-[4-(3-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]acetamide
CID 139918012
N-[2-[2-(3-hydroxyphenyl)phenyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pentanamide
CID 70180403
N-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]benzamide
CID 57107564
N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(2-hydroxy-4-methoxyphenyl)acetamide
CID 139918040
N-[4-(4-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]acetamide
CID 139917966
N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide
CID 139917835
2-[2-(3-methoxyphenyl)phenyl]phenol
CID 135057832
2-acetamido-4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82226564
N-[2-[2-(2-hydroxyphenyl)phenyl]-4-phenyl-1,3-oxazol-5-yl]pentanamide
CID 139917947
4-chloro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 2799994
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-hydroxyphenyl)phenyl]-4-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetamide?
The IUPAC name of N-[2-[2-(3-hydroxyphenyl)phenyl]-4-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetamide (CID 57224621) is N-[2-[2-(3-hydroxyphenyl)phenyl]-4-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetamide.
What is the SMILES notation for N-[2-[2-(3-hydroxyphenyl)phenyl]-4-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetamide?
The canonical SMILES for N-[2-[2-(3-hydroxyphenyl)phenyl]-4-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetamide is COc1cccc(-c2nc(-c3ccccc3-c3cccc(O)c3)oc2NC(C)=O)c1.
What is the InChIKey of N-[2-[2-(3-hydroxyphenyl)phenyl]-4-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetamide?
The InChIKey is APTYQUNBNHOSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-15(27)25-24-22(17-8-6-10-19(14-17)29-2)26-23(30-24)21-12-4-3-11-20(21)16-7-5-9-18(28)13-16/h3-14,28H,1-2H3,(H,25,27).
What are the key properties of N-[2-[2-(3-hydroxyphenyl)phenyl]-4-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetamide?
N-[2-[2-(3-hydroxyphenyl)phenyl]-4-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetamide has a molecular weight of 400.43 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-hydroxyphenyl)phenyl]-4-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetamide is sourced from PubChem (CID 57224621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).