N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide

C20H16N2O2S — CID 889089

IUPACN-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc2oc(-c3cccc(NC(=O)Cc4cccs4)c3)nc2c1
InChIInChI=1S/C20H16N2O2S/c1-13-7-8-18-17(10-13)22-20(24-18)14-4-2-5-15(11-14)21-19(23)12-16-6-3-9-25-16/h2-11H,12H2,1H3,(H,21,23)
InChIKeyOPMWDIBAAWLKQY-UHFFFAOYSA-N
MW348.43 g/mol
LogP5.05
Rot. Bonds4

About N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide

N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 889089) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
PubChem CID889089
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC NameN-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc2oc(-c3cccc(NC(=O)Cc4cccs4)c3)nc2c1
InChIInChI=1S/C20H16N2O2S/c1-13-7-8-18-17(10-13)22-20(24-18)14-4-2-5-15(11-14)21-19(23)12-16-6-3-9-25-16/h2-11H,12H2,1H3,(H,21,23)
InChIKeyOPMWDIBAAWLKQY-UHFFFAOYSA-N
XLogP5.05
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.43
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Fluorescent brightener 184
CID 292429
Fba 185
CID 17867
Benzoxazole, 2,2'-(1,2-ethenediyl)bis(5-methyl-
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3-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
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3-(5,7-Dimethyl-1,3-benzoxazol-2-yl)aniline
CID 721040
3-(6-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 721026
4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 350189
2-Phenyl-5-methylbenzoxazole
CID 81919
Benzoxazole, 2-(4-(2-(4-(2-benzoxazolyl)phenyl)ethenyl)phenyl)-5-methyl-
CID 5761588
4,4'-Bis(5-methyl-2-benzoxazolyl)stilbene
CID 6436901
2-Methyl-5-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 721050
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 25188505

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide (CID 889089) is N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide is Cc1ccc2oc(-c3cccc(NC(=O)Cc4cccs4)c3)nc2c1.
What is the InChIKey of N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is OPMWDIBAAWLKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-13-7-8-18-17(10-13)22-20(24-18)14-4-2-5-15(11-14)21-19(23)12-16-6-3-9-25-16/h2-11H,12H2,1H3,(H,21,23).
What are the key properties of N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 348.43 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 889089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).