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

C23H16Cl2N2O3 — CID 139918056

IUPAC2-(4-chloro-2-hydroxyphenyl)-N-[4-(4-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1O)Nc1oc(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H16Cl2N2O3/c24-17-9-6-14(7-10-17)21-23(30-22(27-21)15-4-2-1-3-5-15)26-20(29)12-16-8-11-18(25)13-19(16)28/h1-11,13,28H,12H2,(H,26,29)
InChIKeyHXGCHJUIXWYEAW-UHFFFAOYSA-N
MW439.30 g/mol
LogP6.20
Rot. Bonds5

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

2-(4-chloro-2-hydroxyphenyl)-N-[4-(4-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide (PubChem CID 139918056) has the molecular formula C23H16Cl2N2O3 and a molecular weight of 439.30 g/mol. Its IUPAC name is 2-(4-chloro-2-hydroxyphenyl)-N-[4-(4-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-hydroxyphenyl)-N-[4-(4-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide
PubChem CID139918056
Molecular FormulaC23H16Cl2N2O3
Molecular Weight439.30 g/mol
Exact Mass438.05
IUPAC Name2-(4-chloro-2-hydroxyphenyl)-N-[4-(4-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1O)Nc1oc(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H16Cl2N2O3/c24-17-9-6-14(7-10-17)21-23(30-22(27-21)15-4-2-1-3-5-15)26-20(29)12-16-8-11-18(25)13-19(16)28/h1-11,13,28H,12H2,(H,26,29)
InChIKeyHXGCHJUIXWYEAW-UHFFFAOYSA-N
XLogP6.20
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.30
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-hydroxyphenyl)-N-[4-(4-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide?
The IUPAC name of 2-(4-chloro-2-hydroxyphenyl)-N-[4-(4-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide (CID 139918056) is 2-(4-chloro-2-hydroxyphenyl)-N-[4-(4-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-hydroxyphenyl)-N-[4-(4-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide?
The canonical SMILES for 2-(4-chloro-2-hydroxyphenyl)-N-[4-(4-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide is O=C(Cc1ccc(Cl)cc1O)Nc1oc(-c2ccccc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloro-2-hydroxyphenyl)-N-[4-(4-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide?
The InChIKey is HXGCHJUIXWYEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N2O3/c24-17-9-6-14(7-10-17)21-23(30-22(27-21)15-4-2-1-3-5-15)26-20(29)12-16-8-11-18(25)13-19(16)28/h1-11,13,28H,12H2,(H,26,29).
What are the key properties of 2-(4-chloro-2-hydroxyphenyl)-N-[4-(4-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide?
2-(4-chloro-2-hydroxyphenyl)-N-[4-(4-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide has a molecular weight of 439.30 g/mol, XLogP of 6.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-hydroxyphenyl)-N-[4-(4-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide is sourced from PubChem (CID 139918056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).