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

C23H17ClN2O3 — CID 139917864

IUPACN-[4-(4-chlorophenyl)-2-[2-(2-hydroxyphenyl)phenyl]-1,3-oxazol-5-yl]acetamide
SMILESCC(=O)Nc1oc(-c2ccccc2-c2ccccc2O)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClN2O3/c1-14(27)25-23-21(15-10-12-16(24)13-11-15)26-22(29-23)19-8-3-2-6-17(19)18-7-4-5-9-20(18)28/h2-13,28H,1H3,(H,25,27)
InChIKeyRHQWHRJOYRWTIF-UHFFFAOYSA-N
MW404.85 g/mol
LogP5.99
Rot. Bonds4

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

N-[4-(4-chlorophenyl)-2-[2-(2-hydroxyphenyl)phenyl]-1,3-oxazol-5-yl]acetamide (PubChem CID 139917864) has the molecular formula C23H17ClN2O3 and a molecular weight of 404.85 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-2-[2-(2-hydroxyphenyl)phenyl]-1,3-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-2-[2-(2-hydroxyphenyl)phenyl]-1,3-oxazol-5-yl]acetamide
PubChem CID139917864
Molecular FormulaC23H17ClN2O3
Molecular Weight404.85 g/mol
Exact Mass404.09
IUPAC NameN-[4-(4-chlorophenyl)-2-[2-(2-hydroxyphenyl)phenyl]-1,3-oxazol-5-yl]acetamide
SMILESCC(=O)Nc1oc(-c2ccccc2-c2ccccc2O)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClN2O3/c1-14(27)25-23-21(15-10-12-16(24)13-11-15)26-22(29-23)19-8-3-2-6-17(19)18-7-4-5-9-20(18)28/h2-13,28H,1H3,(H,25,27)
InChIKeyRHQWHRJOYRWTIF-UHFFFAOYSA-N
XLogP5.99
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.85
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]acetamide
CID 139917966
N-[2-[2-(2-hydroxyphenyl)phenyl]-4-phenyl-1,3-oxazol-5-yl]pentanamide
CID 139917947
N-[4-(3-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]acetamide
CID 139918012
N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide
CID 139917835
N-[2-[2-(3-hydroxyphenyl)phenyl]-4-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetamide
CID 57224621
N-[2-[2-(2-hydroxyphenyl)phenyl]-4-(3-sulfanylphenyl)-1,3-oxazol-5-yl]pentanamide
CID 139917956
N-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]acetamide
CID 57197415
2-(4-chloro-2-hydroxyphenyl)-N-[4-(4-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide
CID 139918056
N-[2-(4-chlorophenyl)-5-phenyl-1,3-oxazol-4-yl]acetamide
CID 14269261
[2-(4-chlorophenyl)-4-phenyl-1,3-oxazol-5-yl] acetate
CID 69072680
N-[2-[2-(3-hydroxyphenyl)phenyl]-4-pyridin-3-yl-1,3-oxazol-5-yl]pentanamide
CID 57257365
2-(4-chloro-2-hydroxyphenyl)-N-[4-phenyl-2-(4-sulfanylphenyl)-1,3-oxazol-5-yl]pentanamide
CID 139917967

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-2-[2-(2-hydroxyphenyl)phenyl]-1,3-oxazol-5-yl]acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-2-[2-(2-hydroxyphenyl)phenyl]-1,3-oxazol-5-yl]acetamide (CID 139917864) is N-[4-(4-chlorophenyl)-2-[2-(2-hydroxyphenyl)phenyl]-1,3-oxazol-5-yl]acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-2-[2-(2-hydroxyphenyl)phenyl]-1,3-oxazol-5-yl]acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-2-[2-(2-hydroxyphenyl)phenyl]-1,3-oxazol-5-yl]acetamide is CC(=O)Nc1oc(-c2ccccc2-c2ccccc2O)nc1-c1ccc(Cl)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-2-[2-(2-hydroxyphenyl)phenyl]-1,3-oxazol-5-yl]acetamide?
The InChIKey is RHQWHRJOYRWTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O3/c1-14(27)25-23-21(15-10-12-16(24)13-11-15)26-22(29-23)19-8-3-2-6-17(19)18-7-4-5-9-20(18)28/h2-13,28H,1H3,(H,25,27).
What are the key properties of N-[4-(4-chlorophenyl)-2-[2-(2-hydroxyphenyl)phenyl]-1,3-oxazol-5-yl]acetamide?
N-[4-(4-chlorophenyl)-2-[2-(2-hydroxyphenyl)phenyl]-1,3-oxazol-5-yl]acetamide has a molecular weight of 404.85 g/mol, XLogP of 5.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-2-[2-(2-hydroxyphenyl)phenyl]-1,3-oxazol-5-yl]acetamide is sourced from PubChem (CID 139917864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).