N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide

C19H14N2O2S — CID 728446

IUPACN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1cccc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C19H14N2O2S/c22-18(12-15-7-4-10-24-15)20-14-6-3-5-13(11-14)19-21-16-8-1-2-9-17(16)23-19/h1-11H,12H2,(H,20,22)
InChIKeyBUXRDXMSBNLPFR-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.74
Rot. Bonds4

About N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide

N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 728446) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
PubChem CID728446
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1cccc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C19H14N2O2S/c22-18(12-15-7-4-10-24-15)20-14-6-3-5-13(11-14)19-21-16-8-1-2-9-17(16)23-19/h1-11H,12H2,(H,20,22)
InChIKeyBUXRDXMSBNLPFR-UHFFFAOYSA-N
XLogP4.74
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide (CID 728446) is N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1cccc(-c2nc3ccccc3o2)c1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is BUXRDXMSBNLPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c22-18(12-15-7-4-10-24-15)20-14-6-3-5-13(11-14)19-21-16-8-1-2-9-17(16)23-19/h1-11H,12H2,(H,20,22).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 334.40 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 728446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).