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

C26H18N2O3S — CID 57107564

IUPACN-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]benzamide
SMILESO=C(Nc1oc(-c2ccccc2-c2cccc(O)c2)nc1-c1cccs1)c1ccccc1
InChIInChI=1S/C26H18N2O3S/c29-19-11-6-10-18(16-19)20-12-4-5-13-21(20)25-27-23(22-14-7-15-32-22)26(31-25)28-24(30)17-8-2-1-3-9-17/h1-16,29H,(H,28,30)
InChIKeyXSTOLZUTSBQICA-UHFFFAOYSA-N
MW438.51 g/mol
LogP6.70
Rot. Bonds5

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

N-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]benzamide (PubChem CID 57107564) has the molecular formula C26H18N2O3S and a molecular weight of 438.51 g/mol. Its IUPAC name is N-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]benzamide
PubChem CID57107564
Molecular FormulaC26H18N2O3S
Molecular Weight438.51 g/mol
Exact Mass438.10
IUPAC NameN-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]benzamide
SMILESO=C(Nc1oc(-c2ccccc2-c2cccc(O)c2)nc1-c1cccs1)c1ccccc1
InChIInChI=1S/C26H18N2O3S/c29-19-11-6-10-18(16-19)20-12-4-5-13-21(20)25-27-23(22-14-7-15-32-22)26(31-25)28-24(30)17-8-2-1-3-9-17/h1-16,29H,(H,28,30)
InChIKeyXSTOLZUTSBQICA-UHFFFAOYSA-N
XLogP6.70
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.51
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]benzamide?
The IUPAC name of N-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]benzamide (CID 57107564) is N-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]benzamide.
What is the SMILES notation for N-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]benzamide?
The canonical SMILES for N-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]benzamide is O=C(Nc1oc(-c2ccccc2-c2cccc(O)c2)nc1-c1cccs1)c1ccccc1.
What is the InChIKey of N-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]benzamide?
The InChIKey is XSTOLZUTSBQICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O3S/c29-19-11-6-10-18(16-19)20-12-4-5-13-21(20)25-27-23(22-14-7-15-32-22)26(31-25)28-24(30)17-8-2-1-3-9-17/h1-16,29H,(H,28,30).
What are the key properties of N-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]benzamide?
N-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]benzamide has a molecular weight of 438.51 g/mol, XLogP of 6.70, 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-thiophen-2-yl-1,3-oxazol-5-yl]benzamide is sourced from PubChem (CID 57107564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).