N-[(2,5-dimethoxyphenyl)methyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide

C19H18N2O4S — CID 20943610

IUPACN-[(2,5-dimethoxyphenyl)methyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2noc3c2CCc2sccc2-3)c1
InChIInChI=1S/C19H18N2O4S/c1-23-12-3-5-15(24-2)11(9-12)10-20-19(22)17-14-4-6-16-13(7-8-26-16)18(14)25-21-17/h3,5,7-9H,4,6,10H2,1-2H3,(H,20,22)
InChIKeyZBTJPTGZJUWJCK-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.45
Rot. Bonds5

About N-[(2,5-dimethoxyphenyl)methyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide

N-[(2,5-dimethoxyphenyl)methyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide (PubChem CID 20943610) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
PubChem CID20943610
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2noc3c2CCc2sccc2-3)c1
InChIInChI=1S/C19H18N2O4S/c1-23-12-3-5-15(24-2)11(9-12)10-20-19(22)17-14-4-6-16-13(7-8-26-16)18(14)25-21-17/h3,5,7-9H,4,6,10H2,1-2H3,(H,20,22)
InChIKeyZBTJPTGZJUWJCK-UHFFFAOYSA-N
XLogP3.45
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,4-dimethoxyphenyl)ethyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943651
N-(4-ethoxyphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943537
N-[2-(azepan-1-yl)ethyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943646
8-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 46087308
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
N-butan-2-yl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943516
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 3240737
N-(4-propan-2-ylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943550
N-(1-phenylethyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943667
N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943684
N-[(2,5-dimethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
CID 46347301
N-methyl-N-phenyl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943593

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide (CID 20943610) is N-[(2,5-dimethoxyphenyl)methyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide is COc1ccc(OC)c(CNC(=O)c2noc3c2CCc2sccc2-3)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
The InChIKey is ZBTJPTGZJUWJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-23-12-3-5-15(24-2)11(9-12)10-20-19(22)17-14-4-6-16-13(7-8-26-16)18(14)25-21-17/h3,5,7-9H,4,6,10H2,1-2H3,(H,20,22).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
N-[(2,5-dimethoxyphenyl)methyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 20943610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).