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

C21H16N2O3S — CID 57197415

IUPACN-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]acetamide
SMILESCC(=O)Nc1oc(-c2ccccc2-c2cccc(O)c2)nc1-c1cccs1
InChIInChI=1S/C21H16N2O3S/c1-13(24)22-21-19(18-10-5-11-27-18)23-20(26-21)17-9-3-2-8-16(17)14-6-4-7-15(25)12-14/h2-12,25H,1H3,(H,22,24)
InChIKeyRMQQIOQCWZSXQD-UHFFFAOYSA-N
MW376.44 g/mol
LogP5.40
Rot. Bonds4

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

N-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]acetamide (PubChem CID 57197415) has the molecular formula C21H16N2O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]acetamide
PubChem CID57197415
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC NameN-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]acetamide
SMILESCC(=O)Nc1oc(-c2ccccc2-c2cccc(O)c2)nc1-c1cccs1
InChIInChI=1S/C21H16N2O3S/c1-13(24)22-21-19(18-10-5-11-27-18)23-20(26-21)17-9-3-2-8-16(17)14-6-4-7-15(25)12-14/h2-12,25H,1H3,(H,22,24)
InChIKeyRMQQIOQCWZSXQD-UHFFFAOYSA-N
XLogP5.40
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.44
LogP ≤ 55.40
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]acetamide?
The IUPAC name of N-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]acetamide (CID 57197415) is N-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]acetamide.
What is the SMILES notation for N-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]acetamide?
The canonical SMILES for N-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]acetamide is CC(=O)Nc1oc(-c2ccccc2-c2cccc(O)c2)nc1-c1cccs1.
What is the InChIKey of N-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]acetamide?
The InChIKey is RMQQIOQCWZSXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3S/c1-13(24)22-21-19(18-10-5-11-27-18)23-20(26-21)17-9-3-2-8-16(17)14-6-4-7-15(25)12-14/h2-12,25H,1H3,(H,22,24).
What are the key properties of N-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]acetamide?
N-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]acetamide has a molecular weight of 376.44 g/mol, XLogP of 5.40, 4 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]acetamide is sourced from PubChem (CID 57197415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).