N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide

C20H16N2O2S — CID 803977

IUPACN-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc2oc(-c3ccc(NC(=O)Cc4cccs4)cc3)nc2c1
InChIInChI=1S/C20H16N2O2S/c1-13-4-9-18-17(11-13)22-20(24-18)14-5-7-15(8-6-14)21-19(23)12-16-3-2-10-25-16/h2-11H,12H2,1H3,(H,21,23)
InChIKeyREJOAVPISYGBSB-UHFFFAOYSA-N
MW348.43 g/mol
LogP5.05
Rot. Bonds4

About N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide

N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 803977) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
PubChem CID803977
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC NameN-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc2oc(-c3ccc(NC(=O)Cc4cccs4)cc3)nc2c1
InChIInChI=1S/C20H16N2O2S/c1-13-4-9-18-17(11-13)22-20(24-18)14-5-7-15(8-6-14)21-19(23)12-16-3-2-10-25-16/h2-11H,12H2,1H3,(H,21,23)
InChIKeyREJOAVPISYGBSB-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

2-(2,5-dimethylphenoxy)-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 4062395
2-methyl-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 698044
N-[4-(4-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide
CID 7925201
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-thiophen-2-ylacetamide
CID 110642555
N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide
CID 881581
tert-butyl N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamate
CID 166446222
2-cyano-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 168522173
2-methyl-N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]propanamide
CID 17099656
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
N-[4-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide
CID 42245990
2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 3013315
N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide
CID 1359894

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide (CID 803977) is N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide is Cc1ccc2oc(-c3ccc(NC(=O)Cc4cccs4)cc3)nc2c1.
What is the InChIKey of N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is REJOAVPISYGBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-13-4-9-18-17(11-13)22-20(24-18)14-5-7-15(8-6-14)21-19(23)12-16-3-2-10-25-16/h2-11H,12H2,1H3,(H,21,23).
What are the key properties of N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
N-[4-(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-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 803977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).